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iphreeqc/ex2.out
David L Parkhurst 384ebda905 Updated to latest examples. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5853 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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Input file: ../examples/ex2
Output file: ex2.out
Database file: ../database/phreeqc.dat
------------------
Reading data base.
------------------
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
SURFACE_SPECIES
RATES
END
------------------------------------
Reading input data for simulation 1.
------------------------------------
TITLE Example 2.--Temperature dependence of solubility
of gypsum and anhydrite
SOLUTION 1 Pure water
pH 7.0
temp 25.0
EQUILIBRIUM_PHASES 1
Gypsum 0.0 1.0
Anhydrite 0.0 1.0
REACTION_TEMPERATURE 1
25.0 75.0 in 51 steps
SELECTED_OUTPUT
file ex2.sel
temperature
si anhydrite gypsum
USER_GRAPH 1 Example 2
-headings Temperature Gypsum Anhydrite
-chart_title "Gypsum-Anhydrite Stability"
-axis_scale x_axis 25 75 5 0
-axis_scale y_axis auto 0.05 0.1
-axis_titles "TEMPERATURE, IN DEGREES CELSIUS" "SATURATION INDEX"
-initial_solutions false
-start
10 graph_x TC
20 graph_y SI("Gypsum") SI("Anhydrite")
-end
END
-----
TITLE
-----
Example 2.--Temperature dependence of solubility
of gypsum and anhydrite
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------
Initial solution 1. Pure water
-----------------------------Solution composition------------------------------
Elements Molality Moles
Pure water
----------------------------Description of solution----------------------------
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-007
Mass of water (kg) = 1.000e+000
Total alkalinity (eq/kg) = 1.082e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.05
Iterations = 0
Total H = 1.110124e+002
Total O = 5.550622e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.002e-007 1.001e-007 -6.999 -6.999 -0.000
H+ 1.001e-007 1.000e-007 -7.000 -7.000 -0.000
H2O 5.551e+001 1.000e+000 1.744 0.000 0.000
H(0) 1.416e-025
H2 7.079e-026 7.079e-026 -25.150 -25.150 0.000
O(0) 0.000e+000
O2 0.000e+000 0.000e+000 -42.080 -42.080 0.000
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
H2(g) -22.00 -25.15 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
O2(g) -39.19 -42.08 -2.89 O2
-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------
Reaction step 1.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.22 -4.58 -4.36 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.849e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.564e-002 1.508e-002
S 1.564e-002 1.508e-002
----------------------------Description of solution----------------------------
pH = 7.067 Charge balance
pe = 10.685 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2160
Density (g/cm3) = 0.99920
Activity of water = 1.000
Ionic strength = 4.178e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 25.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070728e+002
Total O = 5.359671e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.417e-007 1.167e-007 -6.849 -6.933 -0.084
H+ 9.957e-008 8.575e-008 -7.002 -7.067 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.564e-002
Ca+2 1.045e-002 5.176e-003 -1.981 -2.286 -0.305
CaSO4 5.191e-003 5.242e-003 -2.285 -2.281 0.004
CaOH+ 1.204e-008 1.001e-008 -7.919 -7.999 -0.080
CaHSO4+ 3.166e-009 2.633e-009 -8.499 -8.580 -0.080
H(0) 4.398e-039
H2 2.199e-039 2.220e-039 -38.658 -38.654 0.004
O(0) 1.673e-015
O2 8.367e-016 8.447e-016 -15.077 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -117.640 -117.725 -0.084
H2S 0.000e+000 0.000e+000 -117.854 -117.850 0.004
S-2 0.000e+000 0.000e+000 -123.264 -123.576 -0.312
S(6) 1.564e-002
SO4-2 1.045e-002 5.075e-003 -1.981 -2.295 -0.313
CaSO4 5.191e-003 5.242e-003 -2.285 -2.281 0.004
HSO4- 5.088e-008 4.231e-008 -7.293 -7.374 -0.080
CaHSO4+ 3.166e-009 2.633e-009 -8.499 -8.580 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(298 K, 1 atm)
Anhydrite -0.22 -4.58 -4.36 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.50 -38.65 -3.15 H2
H2O(g) -1.51 -0.00 1.51 H2O
H2S(g) -116.85 -117.85 -1.00 H2S
O2(g) -12.18 -15.07 -2.89 O2
Sulfur -87.23 -82.35 4.88 S
Reaction step 2.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.22 -4.58 -4.37 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.849e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.569e-002 1.514e-002
S 1.569e-002 1.514e-002
----------------------------Description of solution----------------------------
pH = 7.053 Charge balance
pe = 10.617 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 26 oC) = 2210
Density (g/cm3) = 0.99894
Activity of water = 1.000
Ionic strength = 4.182e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 26.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070730e+002
Total O = 5.359703e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.482e-007 1.220e-007 -6.829 -6.914 -0.084
H+ 1.027e-007 8.845e-008 -6.988 -7.053 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.569e-002
Ca+2 1.046e-002 5.174e-003 -1.981 -2.286 -0.306
CaSO4 5.236e-003 5.287e-003 -2.281 -2.277 0.004
CaOH+ 1.167e-008 9.704e-009 -7.933 -8.013 -0.080
CaHSO4+ 3.337e-009 2.774e-009 -8.477 -8.557 -0.080
H(0) 6.352e-039
H2 3.176e-039 3.207e-039 -38.498 -38.494 0.004
O(0) 1.682e-015
O2 8.412e-016 8.493e-016 -15.075 -15.071 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -117.119 -117.203 -0.084
H2S 0.000e+000 0.000e+000 -117.332 -117.327 0.004
S-2 0.000e+000 0.000e+000 -122.726 -123.038 -0.312
S(6) 1.569e-002
SO4-2 1.046e-002 5.073e-003 -1.981 -2.295 -0.314
CaSO4 5.236e-003 5.287e-003 -2.281 -2.277 0.004
HSO4- 5.364e-008 4.459e-008 -7.270 -7.351 -0.080
CaHSO4+ 3.337e-009 2.774e-009 -8.477 -8.557 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(299 K, 1 atm)
Anhydrite -0.22 -4.58 -4.37 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.34 -38.49 -3.15 H2
H2O(g) -1.48 -0.00 1.48 H2O
H2S(g) -116.32 -117.33 -1.01 H2S
O2(g) -12.17 -15.07 -2.90 O2
Sulfur -86.85 -81.99 4.86 S
Reaction step 3.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.21 -4.58 -4.37 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.848e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.574e-002 1.519e-002
S 1.574e-002 1.519e-002
----------------------------Description of solution----------------------------
pH = 7.040 Charge balance
pe = 10.548 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 27 oC) = 2261
Density (g/cm3) = 0.99868
Activity of water = 1.000
Ionic strength = 4.186e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 27.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070732e+002
Total O = 5.359733e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.548e-007 1.274e-007 -6.810 -6.895 -0.085
H+ 1.060e-007 9.122e-008 -6.975 -7.040 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.574e-002
Ca+2 1.047e-002 5.172e-003 -1.980 -2.286 -0.306
CaSO4 5.279e-003 5.330e-003 -2.277 -2.273 0.004
CaOH+ 1.132e-008 9.405e-009 -7.946 -8.027 -0.080
CaHSO4+ 3.516e-009 2.922e-009 -8.454 -8.534 -0.080
H(0) 9.165e-039
H2 4.583e-039 4.627e-039 -38.339 -38.335 0.004
O(0) 1.687e-015
O2 8.433e-016 8.515e-016 -15.074 -15.070 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -116.598 -116.682 -0.085
H2S 0.000e+000 0.000e+000 -116.810 -116.806 0.004
S-2 0.000e+000 0.000e+000 -122.188 -122.501 -0.313
S(6) 1.574e-002
SO4-2 1.047e-002 5.071e-003 -1.980 -2.295 -0.315
CaSO4 5.279e-003 5.330e-003 -2.277 -2.273 0.004
HSO4- 5.655e-008 4.699e-008 -7.248 -7.328 -0.080
CaHSO4+ 3.516e-009 2.922e-009 -8.454 -8.534 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(300 K, 1 atm)
Anhydrite -0.21 -4.58 -4.37 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.18 -38.33 -3.16 H2
H2O(g) -1.46 -0.00 1.46 H2O
H2S(g) -115.79 -116.81 -1.02 H2S
O2(g) -12.16 -15.07 -2.91 O2
Sulfur -86.47 -81.63 4.84 S
Reaction step 4.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.21 -4.58 -4.37 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.848e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.579e-002 1.523e-002
S 1.579e-002 1.523e-002
----------------------------Description of solution----------------------------
pH = 7.027 Charge balance
pe = 10.479 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 28 oC) = 2311
Density (g/cm3) = 0.99840
Activity of water = 1.000
Ionic strength = 4.189e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 28.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070734e+002
Total O = 5.359762e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.617e-007 1.330e-007 -6.791 -6.876 -0.085
H+ 1.093e-007 9.404e-008 -6.961 -7.027 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.579e-002
Ca+2 1.047e-002 5.168e-003 -1.980 -2.287 -0.307
CaSO4 5.321e-003 5.373e-003 -2.274 -2.270 0.004
CaOH+ 1.097e-008 9.117e-009 -7.960 -8.040 -0.081
CaHSO4+ 3.703e-009 3.076e-009 -8.431 -8.512 -0.081
H(0) 1.329e-038
H2 6.643e-039 6.707e-039 -38.178 -38.173 0.004
O(0) 1.667e-015
O2 8.334e-016 8.415e-016 -15.079 -15.075 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -116.068 -116.153 -0.085
H2S 0.000e+000 0.000e+000 -116.280 -116.276 0.004
S-2 0.000e+000 0.000e+000 -121.642 -121.956 -0.314
S(6) 1.579e-002
SO4-2 1.047e-002 5.067e-003 -1.980 -2.295 -0.315
CaSO4 5.321e-003 5.373e-003 -2.274 -2.270 0.004
HSO4- 5.959e-008 4.950e-008 -7.225 -7.305 -0.081
CaHSO4+ 3.703e-009 3.076e-009 -8.431 -8.512 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(301 K, 1 atm)
Anhydrite -0.21 -4.58 -4.37 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -35.01 -38.17 -3.16 H2
H2O(g) -1.43 -0.00 1.43 H2O
H2S(g) -115.25 -116.28 -1.03 H2S
O2(g) -12.16 -15.07 -2.91 O2
Sulfur -86.08 -81.27 4.81 S
Reaction step 5.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.20 -4.58 -4.38 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.847e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.584e-002 1.528e-002
S 1.584e-002 1.528e-002
----------------------------Description of solution----------------------------
pH = 7.014 Charge balance
pe = 10.411 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 29 oC) = 2362
Density (g/cm3) = 0.99812
Activity of water = 1.000
Ionic strength = 4.191e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 29.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070735e+002
Total O = 5.359788e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.688e-007 1.388e-007 -6.773 -6.858 -0.085
H+ 1.127e-007 9.693e-008 -6.948 -7.014 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.584e-002
Ca+2 1.048e-002 5.164e-003 -1.980 -2.287 -0.307
CaSO4 5.361e-003 5.413e-003 -2.271 -2.267 0.004
CaOH+ 1.064e-008 8.838e-009 -7.973 -8.054 -0.081
CaHSO4+ 3.899e-009 3.238e-009 -8.409 -8.490 -0.081
H(0) 1.907e-038
H2 9.536e-039 9.628e-039 -38.021 -38.016 0.004
O(0) 1.672e-015
O2 8.359e-016 8.440e-016 -15.078 -15.074 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -115.554 -115.639 -0.085
H2S 0.000e+000 0.000e+000 -115.766 -115.761 0.004
S-2 0.000e+000 0.000e+000 -121.112 -121.426 -0.314
S(6) 1.584e-002
SO4-2 1.048e-002 5.063e-003 -1.980 -2.296 -0.316
CaSO4 5.361e-003 5.413e-003 -2.271 -2.267 0.004
HSO4- 6.279e-008 5.214e-008 -7.202 -7.283 -0.081
CaHSO4+ 3.899e-009 3.238e-009 -8.409 -8.490 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(302 K, 1 atm)
Anhydrite -0.20 -4.58 -4.38 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -34.85 -38.02 -3.17 H2
H2O(g) -1.41 -0.00 1.41 H2O
H2S(g) -114.72 -115.76 -1.04 H2S
O2(g) -12.15 -15.07 -2.92 O2
Sulfur -85.70 -80.91 4.79 S
Reaction step 6.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.20 -4.58 -4.39 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.847e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.588e-002 1.532e-002
S 1.588e-002 1.532e-002
----------------------------Description of solution----------------------------
pH = 7.001 Charge balance
pe = 10.345 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 30 oC) = 2413
Density (g/cm3) = 0.99782
Activity of water = 1.000
Ionic strength = 4.193e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 30.00
Electrical balance (eq) = -1.018e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 21
Total H = 1.070737e+002
Total O = 5.359813e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.762e-007 1.448e-007 -6.754 -6.839 -0.085
H+ 1.161e-007 9.988e-008 -6.935 -7.001 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.588e-002
Ca+2 1.048e-002 5.160e-003 -1.980 -2.287 -0.308
CaSO4 5.400e-003 5.453e-003 -2.268 -2.263 0.004
CaOH+ 1.032e-008 8.569e-009 -7.986 -8.067 -0.081
CaHSO4+ 4.103e-009 3.406e-009 -8.387 -8.468 -0.081
H(0) 2.723e-038
H2 1.362e-038 1.375e-038 -37.866 -37.862 0.004
O(0) 1.686e-015
O2 8.432e-016 8.514e-016 -15.074 -15.070 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -115.050 -115.135 -0.085
H2S 0.000e+000 0.000e+000 -115.260 -115.256 0.004
S-2 0.000e+000 0.000e+000 -120.591 -120.906 -0.315
S(6) 1.588e-002
SO4-2 1.048e-002 5.059e-003 -1.980 -2.296 -0.316
CaSO4 5.400e-003 5.453e-003 -2.268 -2.263 0.004
HSO4- 6.614e-008 5.491e-008 -7.180 -7.260 -0.081
CaHSO4+ 4.103e-009 3.406e-009 -8.387 -8.468 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(303 K, 1 atm)
Anhydrite -0.20 -4.58 -4.39 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -34.69 -37.86 -3.17 H2
H2O(g) -1.38 -0.00 1.38 H2O
H2S(g) -114.20 -115.26 -1.05 H2S
O2(g) -12.14 -15.07 -2.93 O2
Sulfur -85.33 -80.57 4.77 S
Reaction step 7.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.19 -4.58 -4.39 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.58 -4.58 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.592e-002 1.536e-002
S 1.592e-002 1.536e-002
----------------------------Description of solution----------------------------
pH = 6.988 Charge balance
pe = 10.278 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 31 oC) = 2464
Density (g/cm3) = 0.99752
Activity of water = 1.000
Ionic strength = 4.194e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 31.00
Electrical balance (eq) = -9.833e-011
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070739e+002
Total O = 5.359836e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.837e-007 1.510e-007 -6.736 -6.821 -0.085
H+ 1.197e-007 1.029e-007 -6.922 -6.988 -0.066
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.592e-002
Ca+2 1.049e-002 5.154e-003 -1.979 -2.288 -0.308
CaSO4 5.438e-003 5.491e-003 -2.265 -2.260 0.004
CaOH+ 1.001e-008 8.310e-009 -7.999 -8.080 -0.081
CaHSO4+ 4.317e-009 3.582e-009 -8.365 -8.446 -0.081
H(0) 3.892e-038
H2 1.946e-038 1.965e-038 -37.711 -37.707 0.004
O(0) 1.690e-015
O2 8.449e-016 8.531e-016 -15.073 -15.069 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -114.542 -114.628 -0.085
H2S 0.000e+000 0.000e+000 -114.752 -114.747 0.004
S-2 0.000e+000 0.000e+000 -120.068 -120.383 -0.315
S(6) 1.592e-002
SO4-2 1.048e-002 5.053e-003 -1.979 -2.296 -0.317
CaSO4 5.438e-003 5.491e-003 -2.265 -2.260 0.004
HSO4- 6.966e-008 5.780e-008 -7.157 -7.238 -0.081
CaHSO4+ 4.317e-009 3.582e-009 -8.365 -8.446 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(304 K, 1 atm)
Anhydrite -0.19 -4.58 -4.39 CaSO4
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2(g) -34.53 -37.71 -3.18 H2
H2O(g) -1.36 -0.00 1.36 H2O
H2S(g) -113.68 -114.75 -1.06 H2S
O2(g) -12.14 -15.07 -2.93 O2
Sulfur -84.96 -80.22 4.74 S
Reaction step 8.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.19 -4.59 -4.40 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.596e-002 1.539e-002
S 1.596e-002 1.539e-002
----------------------------Description of solution----------------------------
pH = 6.975 Charge balance
pe = 10.211 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 32 oC) = 2515
Density (g/cm3) = 0.99721
Activity of water = 1.000
Ionic strength = 4.194e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 32.00
Electrical balance (eq) = -9.896e-011
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070740e+002
Total O = 5.359858e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.916e-007 1.573e-007 -6.718 -6.803 -0.085
H+ 1.233e-007 1.060e-007 -6.909 -6.975 -0.066
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.596e-002
Ca+2 1.049e-002 5.148e-003 -1.979 -2.288 -0.309
CaSO4 5.474e-003 5.527e-003 -2.262 -2.258 0.004
CaOH+ 9.715e-009 8.059e-009 -8.013 -8.094 -0.081
CaHSO4+ 4.540e-009 3.766e-009 -8.343 -8.424 -0.081
H(0) 5.565e-038
H2 2.783e-038 2.810e-038 -37.556 -37.551 0.004
O(0) 1.684e-015
O2 8.421e-016 8.503e-016 -15.075 -15.070 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -114.034 -114.119 -0.085
H2S 0.000e+000 0.000e+000 -114.242 -114.238 0.004
S-2 0.000e+000 0.000e+000 -119.543 -119.859 -0.316
S(6) 1.596e-002
SO4-2 1.049e-002 5.047e-003 -1.979 -2.297 -0.318
CaSO4 5.474e-003 5.527e-003 -2.262 -2.258 0.004
HSO4- 7.334e-008 6.084e-008 -7.135 -7.216 -0.081
CaHSO4+ 4.540e-009 3.766e-009 -8.343 -8.424 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(305 K, 1 atm)
Anhydrite -0.19 -4.59 -4.40 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.37 -37.55 -3.18 H2
H2O(g) -1.33 -0.00 1.33 H2O
H2S(g) -113.16 -114.24 -1.07 H2S
O2(g) -12.13 -15.07 -2.94 O2
Sulfur -84.59 -79.87 4.72 S
Reaction step 9.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.18 -4.59 -4.40 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.599e-002 1.543e-002
S 1.599e-002 1.543e-002
----------------------------Description of solution----------------------------
pH = 6.962 Charge balance
pe = 10.144 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 33 oC) = 2566
Density (g/cm3) = 0.99689
Activity of water = 1.000
Ionic strength = 4.194e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 33.00
Electrical balance (eq) = -1.034e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070741e+002
Total O = 5.359877e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 1.996e-007 1.639e-007 -6.700 -6.785 -0.086
H+ 1.270e-007 1.091e-007 -6.896 -6.962 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.599e-002
Ca+2 1.049e-002 5.142e-003 -1.979 -2.289 -0.309
CaSO4 5.508e-003 5.562e-003 -2.259 -2.255 0.004
CaOH+ 9.427e-009 7.818e-009 -8.026 -8.107 -0.081
CaHSO4+ 4.772e-009 3.957e-009 -8.321 -8.403 -0.081
H(0) 7.958e-038
H2 3.979e-038 4.017e-038 -37.400 -37.396 0.004
O(0) 1.671e-015
O2 8.353e-016 8.434e-016 -15.078 -15.074 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -113.525 -113.610 -0.086
H2S 0.000e+000 0.000e+000 -113.731 -113.727 0.004
S-2 0.000e+000 0.000e+000 -119.018 -119.334 -0.316
S(6) 1.599e-002
SO4-2 1.048e-002 5.041e-003 -1.979 -2.297 -0.318
CaSO4 5.508e-003 5.562e-003 -2.259 -2.255 0.004
HSO4- 7.720e-008 6.402e-008 -7.112 -7.194 -0.081
CaHSO4+ 4.772e-009 3.957e-009 -8.321 -8.403 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(306 K, 1 atm)
Anhydrite -0.18 -4.59 -4.40 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.21 -37.40 -3.18 H2
H2O(g) -1.31 -0.00 1.31 H2O
H2S(g) -112.64 -113.73 -1.08 H2S
O2(g) -12.13 -15.07 -2.95 O2
Sulfur -84.21 -79.51 4.70 S
Reaction step 10.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.18 -4.59 -4.41 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.985e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.602e-002 1.546e-002
S 1.602e-002 1.546e-002
----------------------------Description of solution----------------------------
pH = 6.950 Charge balance
pe = 10.078 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 34 oC) = 2617
Density (g/cm3) = 0.99656
Activity of water = 1.000
Ionic strength = 4.193e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 34.00
Electrical balance (eq) = -1.005e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070743e+002
Total O = 5.359895e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.079e-007 1.707e-007 -6.682 -6.768 -0.086
H+ 1.307e-007 1.123e-007 -6.884 -6.950 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.602e-002
Ca+2 1.048e-002 5.134e-003 -1.980 -2.290 -0.310
CaSO4 5.541e-003 5.595e-003 -2.256 -2.252 0.004
CaOH+ 9.149e-009 7.585e-009 -8.039 -8.120 -0.081
CaHSO4+ 5.015e-009 4.157e-009 -8.300 -8.381 -0.081
H(0) 1.133e-037
H2 5.665e-038 5.720e-038 -37.247 -37.243 0.004
O(0) 1.664e-015
O2 8.320e-016 8.400e-016 -15.080 -15.076 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -113.022 -113.108 -0.086
H2S 0.000e+000 0.000e+000 -113.228 -113.224 0.004
S-2 0.000e+000 0.000e+000 -118.500 -118.817 -0.317
S(6) 1.602e-002
SO4-2 1.048e-002 5.034e-003 -1.980 -2.298 -0.319
CaSO4 5.541e-003 5.595e-003 -2.256 -2.252 0.004
HSO4- 8.124e-008 6.734e-008 -7.090 -7.172 -0.081
CaHSO4+ 5.015e-009 4.157e-009 -8.300 -8.381 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(307 K, 1 atm)
Anhydrite -0.18 -4.59 -4.41 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -34.05 -37.24 -3.19 H2
H2O(g) -1.28 -0.00 1.28 H2O
H2S(g) -112.13 -113.22 -1.10 H2S
O2(g) -12.12 -15.08 -2.95 O2
Sulfur -83.85 -79.17 4.68 S
Reaction step 11.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.17 -4.59 -4.42 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.985e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.605e-002 1.548e-002
S 1.605e-002 1.548e-002
----------------------------Description of solution----------------------------
pH = 6.937 Charge balance
pe = 10.013 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 35 oC) = 2668
Density (g/cm3) = 0.99622
Activity of water = 1.000
Ionic strength = 4.191e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 35.00
Electrical balance (eq) = -1.016e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070744e+002
Total O = 5.359911e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.165e-007 1.776e-007 -6.665 -6.750 -0.086
H+ 1.345e-007 1.155e-007 -6.871 -6.937 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.605e-002
Ca+2 1.048e-002 5.126e-003 -1.980 -2.290 -0.310
CaSO4 5.573e-003 5.627e-003 -2.254 -2.250 0.004
CaOH+ 8.881e-009 7.360e-009 -8.052 -8.133 -0.082
CaHSO4+ 5.267e-009 4.365e-009 -8.278 -8.360 -0.082
H(0) 1.601e-037
H2 8.007e-038 8.085e-038 -37.097 -37.092 0.004
O(0) 1.673e-015
O2 8.367e-016 8.448e-016 -15.077 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -112.532 -112.618 -0.086
H2S 0.000e+000 0.000e+000 -112.736 -112.732 0.004
S-2 0.000e+000 0.000e+000 -117.993 -118.311 -0.317
S(6) 1.605e-002
SO4-2 1.048e-002 5.026e-003 -1.980 -2.299 -0.319
CaSO4 5.573e-003 5.627e-003 -2.254 -2.250 0.004
HSO4- 8.546e-008 7.082e-008 -7.068 -7.150 -0.082
CaHSO4+ 5.267e-009 4.365e-009 -8.278 -8.360 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(308 K, 1 atm)
Anhydrite -0.17 -4.59 -4.42 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.90 -37.09 -3.19 H2
H2O(g) -1.26 -0.00 1.26 H2O
H2S(g) -111.63 -112.73 -1.11 H2S
O2(g) -12.12 -15.07 -2.96 O2
Sulfur -83.49 -78.83 4.66 S
Reaction step 12.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.17 -4.59 -4.42 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.608e-002 1.551e-002
S 1.608e-002 1.551e-002
----------------------------Description of solution----------------------------
pH = 6.925 Charge balance
pe = 9.948 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 36 oC) = 2719
Density (g/cm3) = 0.99588
Activity of water = 1.000
Ionic strength = 4.189e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 36.00
Electrical balance (eq) = -1.053e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070745e+002
Total O = 5.359925e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.253e-007 1.848e-007 -6.647 -6.733 -0.086
H+ 1.384e-007 1.189e-007 -6.859 -6.925 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.608e-002
Ca+2 1.047e-002 5.118e-003 -1.980 -2.291 -0.311
CaSO4 5.603e-003 5.657e-003 -2.252 -2.247 0.004
CaOH+ 8.622e-009 7.143e-009 -8.064 -8.146 -0.082
CaHSO4+ 5.530e-009 4.582e-009 -8.257 -8.339 -0.082
H(0) 2.261e-037
H2 1.130e-037 1.141e-037 -36.947 -36.943 0.004
O(0) 1.680e-015
O2 8.401e-016 8.483e-016 -15.076 -15.071 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -112.043 -112.129 -0.086
H2S 0.000e+000 0.000e+000 -112.246 -112.241 0.004
S-2 0.000e+000 0.000e+000 -117.489 -117.807 -0.318
S(6) 1.608e-002
SO4-2 1.047e-002 5.018e-003 -1.980 -2.300 -0.320
CaSO4 5.603e-003 5.657e-003 -2.252 -2.247 0.004
HSO4- 8.988e-008 7.446e-008 -7.046 -7.128 -0.082
CaHSO4+ 5.530e-009 4.582e-009 -8.257 -8.339 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(309 K, 1 atm)
Anhydrite -0.17 -4.59 -4.42 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.75 -36.94 -3.20 H2
H2O(g) -1.24 -0.00 1.24 H2O
H2S(g) -111.13 -112.24 -1.12 H2S
O2(g) -12.11 -15.07 -2.96 O2
Sulfur -83.13 -78.49 4.63 S
Reaction step 13.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.16 -4.59 -4.43 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.610e-002 1.553e-002
S 1.610e-002 1.553e-002
----------------------------Description of solution----------------------------
pH = 6.913 Charge balance
pe = 9.883 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 37 oC) = 2769
Density (g/cm3) = 0.99552
Activity of water = 1.000
Ionic strength = 4.186e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 37.00
Electrical balance (eq) = -1.048e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070745e+002
Total O = 5.359938e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.344e-007 1.922e-007 -6.630 -6.716 -0.086
H+ 1.423e-007 1.222e-007 -6.847 -6.913 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.610e-002
Ca+2 1.047e-002 5.109e-003 -1.980 -2.292 -0.311
CaSO4 5.632e-003 5.686e-003 -2.249 -2.245 0.004
CaOH+ 8.373e-009 6.934e-009 -8.077 -8.159 -0.082
CaHSO4+ 5.804e-009 4.807e-009 -8.236 -8.318 -0.082
H(0) 3.197e-037
H2 1.599e-037 1.614e-037 -36.796 -36.792 0.004
O(0) 1.673e-015
O2 8.364e-016 8.445e-016 -15.078 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -111.551 -111.637 -0.086
H2S 0.000e+000 0.000e+000 -111.751 -111.747 0.004
S-2 0.000e+000 0.000e+000 -116.980 -117.299 -0.318
S(6) 1.610e-002
SO4-2 1.047e-002 5.009e-003 -1.980 -2.300 -0.320
CaSO4 5.632e-003 5.686e-003 -2.249 -2.245 0.004
HSO4- 9.450e-008 7.827e-008 -7.025 -7.106 -0.082
CaHSO4+ 5.804e-009 4.807e-009 -8.236 -8.318 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(310 K, 1 atm)
Anhydrite -0.16 -4.59 -4.43 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.59 -36.79 -3.20 H2
H2O(g) -1.21 -0.00 1.21 H2O
H2S(g) -110.62 -111.75 -1.13 H2S
O2(g) -12.10 -15.07 -2.97 O2
Sulfur -82.77 -78.15 4.61 S
Reaction step 14.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.15 -4.59 -4.44 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.59 -4.59 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.612e-002 1.554e-002
S 1.612e-002 1.554e-002
----------------------------Description of solution----------------------------
pH = 6.901 Charge balance
pe = 9.819 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 38 oC) = 2820
Density (g/cm3) = 0.99516
Activity of water = 1.000
Ionic strength = 4.183e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 38.00
Electrical balance (eq) = -1.056e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 20
Total H = 1.070746e+002
Total O = 5.359949e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.438e-007 1.999e-007 -6.613 -6.699 -0.086
H+ 1.464e-007 1.256e-007 -6.835 -6.901 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.612e-002
Ca+2 1.046e-002 5.099e-003 -1.981 -2.293 -0.312
CaSO4 5.659e-003 5.714e-003 -2.247 -2.243 0.004
CaOH+ 8.132e-009 6.733e-009 -8.090 -8.172 -0.082
CaHSO4+ 6.089e-009 5.042e-009 -8.215 -8.297 -0.082
H(0) 4.499e-037
H2 2.249e-037 2.271e-037 -36.648 -36.644 0.004
O(0) 1.675e-015
O2 8.376e-016 8.457e-016 -15.077 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -111.066 -111.152 -0.086
H2S 0.000e+000 0.000e+000 -111.265 -111.261 0.004
S-2 0.000e+000 0.000e+000 -116.480 -116.799 -0.319
S(6) 1.612e-002
SO4-2 1.046e-002 4.999e-003 -1.981 -2.301 -0.321
CaSO4 5.659e-003 5.714e-003 -2.247 -2.243 0.004
HSO4- 9.933e-008 8.224e-008 -7.003 -7.085 -0.082
CaHSO4+ 6.089e-009 5.042e-009 -8.215 -8.297 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(311 K, 1 atm)
Anhydrite -0.15 -4.59 -4.44 CaSO4
Gypsum 0.00 -4.59 -4.59 CaSO4:2H2O
H2(g) -33.44 -36.64 -3.20 H2
H2O(g) -1.19 -0.00 1.19 H2O
H2S(g) -110.12 -111.26 -1.14 H2S
O2(g) -12.10 -15.07 -2.97 O2
Sulfur -82.41 -77.82 4.59 S
Reaction step 15.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.15 -4.60 -4.45 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.60 -4.60 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.613e-002 1.556e-002
S 1.613e-002 1.556e-002
----------------------------Description of solution----------------------------
pH = 6.889 Charge balance
pe = 9.756 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 39 oC) = 2871
Density (g/cm3) = 0.99479
Activity of water = 1.000
Ionic strength = 4.179e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 39.00
Electrical balance (eq) = -1.056e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070747e+002
Total O = 5.359958e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.534e-007 2.077e-007 -6.596 -6.683 -0.086
H+ 1.504e-007 1.291e-007 -6.823 -6.889 -0.066
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.613e-002
Ca+2 1.045e-002 5.089e-003 -1.981 -2.293 -0.312
CaSO4 5.684e-003 5.739e-003 -2.245 -2.241 0.004
CaOH+ 7.899e-009 6.538e-009 -8.102 -8.185 -0.082
CaHSO4+ 6.386e-009 5.286e-009 -8.195 -8.277 -0.082
H(0) 6.301e-037
H2 3.150e-037 3.181e-037 -36.502 -36.497 0.004
O(0) 1.686e-015
O2 8.430e-016 8.512e-016 -15.074 -15.070 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -110.589 -110.676 -0.086
H2S 0.000e+000 0.000e+000 -110.787 -110.782 0.004
S-2 0.000e+000 0.000e+000 -115.988 -116.307 -0.319
S(6) 1.613e-002
SO4-2 1.045e-002 4.989e-003 -1.981 -2.302 -0.321
CaSO4 5.684e-003 5.739e-003 -2.245 -2.241 0.004
HSO4- 1.044e-007 8.640e-008 -6.981 -7.064 -0.082
CaHSO4+ 6.386e-009 5.286e-009 -8.195 -8.277 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(312 K, 1 atm)
Anhydrite -0.15 -4.60 -4.45 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.29 -36.50 -3.21 H2
H2O(g) -1.16 -0.00 1.16 H2O
H2S(g) -109.64 -110.78 -1.15 H2S
O2(g) -12.09 -15.07 -2.98 O2
Sulfur -82.06 -77.49 4.57 S
Reaction step 16.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.14 -4.60 -4.46 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.60 -4.60 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.614e-002 1.557e-002
S 1.614e-002 1.557e-002
----------------------------Description of solution----------------------------
pH = 6.877 Charge balance
pe = 9.694 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 40 oC) = 2921
Density (g/cm3) = 0.99441
Activity of water = 1.000
Ionic strength = 4.174e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 40.00
Electrical balance (eq) = -1.037e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.070747e+002
Total O = 5.359965e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.634e-007 2.158e-007 -6.579 -6.666 -0.086
H+ 1.546e-007 1.326e-007 -6.811 -6.877 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.614e-002
Ca+2 1.044e-002 5.078e-003 -1.981 -2.294 -0.313
CaSO4 5.708e-003 5.764e-003 -2.243 -2.239 0.004
CaOH+ 7.675e-009 6.351e-009 -8.115 -8.197 -0.082
CaHSO4+ 6.694e-009 5.539e-009 -8.174 -8.257 -0.082
H(0) 8.757e-037
H2 4.379e-037 4.421e-037 -36.359 -36.354 0.004
O(0) 1.716e-015
O2 8.578e-016 8.661e-016 -15.067 -15.062 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -110.125 -110.212 -0.086
H2S 0.000e+000 0.000e+000 -110.321 -110.316 0.004
S-2 0.000e+000 0.000e+000 -115.508 -115.828 -0.320
S(6) 1.614e-002
SO4-2 1.044e-002 4.979e-003 -1.981 -2.303 -0.321
CaSO4 5.708e-003 5.764e-003 -2.243 -2.239 0.004
HSO4- 1.097e-007 9.073e-008 -6.960 -7.042 -0.082
CaHSO4+ 6.694e-009 5.539e-009 -8.174 -8.257 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(313 K, 1 atm)
Anhydrite -0.14 -4.60 -4.46 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -33.14 -36.35 -3.21 H2
H2O(g) -1.14 -0.00 1.14 H2O
H2S(g) -109.16 -110.32 -1.16 H2S
O2(g) -12.08 -15.06 -2.98 O2
Sulfur -81.72 -77.17 4.55 S
Reaction step 17.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.13 -4.60 -4.47 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.60 -4.60 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.615e-002 1.558e-002
S 1.615e-002 1.558e-002
----------------------------Description of solution----------------------------
pH = 6.866 Charge balance
pe = 9.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 41 oC) = 2971
Density (g/cm3) = 0.99403
Activity of water = 1.000
Ionic strength = 4.169e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 41.00
Electrical balance (eq) = -1.066e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070748e+002
Total O = 5.359970e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.736e-007 2.241e-007 -6.563 -6.649 -0.087
H+ 1.588e-007 1.362e-007 -6.799 -6.866 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.615e-002
Ca+2 1.042e-002 5.066e-003 -1.982 -2.295 -0.313
CaSO4 5.731e-003 5.786e-003 -2.242 -2.238 0.004
CaOH+ 7.458e-009 6.170e-009 -8.127 -8.210 -0.082
CaHSO4+ 7.014e-009 5.802e-009 -8.154 -8.236 -0.082
H(0) 1.228e-036
H2 6.142e-037 6.201e-037 -36.212 -36.208 0.004
O(0) 1.707e-015
O2 8.533e-016 8.616e-016 -15.069 -15.065 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -109.645 -109.731 -0.087
H2S 0.000e+000 0.000e+000 -109.838 -109.834 0.004
S-2 0.000e+000 0.000e+000 -115.012 -115.332 -0.320
S(6) 1.615e-002
SO4-2 1.042e-002 4.967e-003 -1.982 -2.304 -0.322
CaSO4 5.731e-003 5.786e-003 -2.242 -2.238 0.004
HSO4- 1.152e-007 9.526e-008 -6.939 -7.021 -0.082
CaHSO4+ 7.014e-009 5.802e-009 -8.154 -8.236 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(314 K, 1 atm)
Anhydrite -0.13 -4.60 -4.47 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -32.99 -36.21 -3.22 H2
H2O(g) -1.12 -0.00 1.12 H2O
H2S(g) -108.67 -109.83 -1.17 H2S
O2(g) -12.08 -15.06 -2.99 O2
Sulfur -81.37 -76.84 4.53 S
Reaction step 18.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.13 -4.60 -4.47 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.60 -4.60 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.616e-002 1.559e-002
S 1.616e-002 1.559e-002
----------------------------Description of solution----------------------------
pH = 6.854 Charge balance
pe = 9.565 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 42 oC) = 3021
Density (g/cm3) = 0.99364
Activity of water = 1.000
Ionic strength = 4.164e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 42.00
Electrical balance (eq) = -1.049e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.070748e+002
Total O = 5.359974e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.842e-007 2.327e-007 -6.546 -6.633 -0.087
H+ 1.631e-007 1.398e-007 -6.788 -6.854 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.616e-002
Ca+2 1.041e-002 5.054e-003 -1.983 -2.296 -0.314
CaSO4 5.752e-003 5.808e-003 -2.240 -2.236 0.004
CaHSO4+ 7.346e-009 6.075e-009 -8.134 -8.216 -0.082
CaOH+ 7.249e-009 5.995e-009 -8.140 -8.222 -0.082
H(0) 1.736e-036
H2 8.680e-037 8.764e-037 -36.061 -36.057 0.004
O(0) 1.665e-015
O2 8.326e-016 8.407e-016 -15.080 -15.075 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -109.151 -109.237 -0.087
H2S 0.000e+000 0.000e+000 -109.342 -109.338 0.004
S-2 0.000e+000 0.000e+000 -114.502 -114.823 -0.321
S(6) 1.616e-002
SO4-2 1.041e-002 4.956e-003 -1.983 -2.305 -0.322
CaSO4 5.752e-003 5.808e-003 -2.240 -2.236 0.004
HSO4- 1.209e-007 9.998e-008 -6.918 -7.000 -0.082
CaHSO4+ 7.346e-009 6.075e-009 -8.134 -8.216 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(315 K, 1 atm)
Anhydrite -0.13 -4.60 -4.47 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -32.84 -36.06 -3.22 H2
H2O(g) -1.09 -0.00 1.09 H2O
H2S(g) -108.16 -109.34 -1.18 H2S
O2(g) -12.08 -15.08 -2.99 O2
Sulfur -81.01 -76.50 4.51 S
Reaction step 19.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.12 -4.60 -4.48 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.60 -4.60 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.616e-002 1.559e-002
S 1.616e-002 1.559e-002
----------------------------Description of solution----------------------------
pH = 6.843 Charge balance
pe = 9.503 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 43 oC) = 3071
Density (g/cm3) = 0.99324
Activity of water = 1.000
Ionic strength = 4.157e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 43.00
Electrical balance (eq) = -1.072e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070748e+002
Total O = 5.359977e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 2.950e-007 2.416e-007 -6.530 -6.617 -0.087
H+ 1.674e-007 1.435e-007 -6.776 -6.843 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.616e-002
Ca+2 1.039e-002 5.042e-003 -1.983 -2.297 -0.314
CaSO4 5.772e-003 5.827e-003 -2.239 -2.235 0.004
CaHSO4+ 7.691e-009 6.359e-009 -8.114 -8.197 -0.083
CaOH+ 7.048e-009 5.827e-009 -8.152 -8.235 -0.083
H(0) 2.405e-036
H2 1.202e-036 1.214e-036 -35.920 -35.916 0.004
O(0) 1.684e-015
O2 8.420e-016 8.501e-016 -15.075 -15.071 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -108.691 -108.778 -0.087
H2S 0.000e+000 0.000e+000 -108.880 -108.876 0.004
S-2 0.000e+000 0.000e+000 -114.026 -114.347 -0.321
S(6) 1.616e-002
SO4-2 1.039e-002 4.944e-003 -1.983 -2.306 -0.323
CaSO4 5.772e-003 5.827e-003 -2.239 -2.235 0.004
HSO4- 1.269e-007 1.049e-007 -6.897 -6.979 -0.083
CaHSO4+ 7.691e-009 6.359e-009 -8.114 -8.197 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(316 K, 1 atm)
Anhydrite -0.12 -4.60 -4.48 CaSO4
Gypsum 0.00 -4.60 -4.60 CaSO4:2H2O
H2(g) -32.69 -35.92 -3.22 H2
H2O(g) -1.07 -0.00 1.07 H2O
H2S(g) -107.69 -108.88 -1.19 H2S
O2(g) -12.07 -15.07 -3.00 O2
Sulfur -80.67 -76.18 4.49 S
Reaction step 20.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.11 -4.61 -4.49 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.61 -4.61 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.617e-002 1.559e-002
S 1.617e-002 1.559e-002
----------------------------Description of solution----------------------------
pH = 6.832 Charge balance
pe = 9.440 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 44 oC) = 3120
Density (g/cm3) = 0.99283
Activity of water = 1.000
Ionic strength = 4.150e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 44.00
Electrical balance (eq) = -1.062e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 15
Total H = 1.070748e+002
Total O = 5.359977e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.062e-007 2.506e-007 -6.514 -6.601 -0.087
H+ 1.718e-007 1.473e-007 -6.765 -6.832 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.617e-002
Ca+2 1.038e-002 5.028e-003 -1.984 -2.299 -0.315
CaSO4 5.790e-003 5.845e-003 -2.237 -2.233 0.004
CaHSO4+ 8.049e-009 6.653e-009 -8.094 -8.177 -0.083
CaOH+ 6.853e-009 5.665e-009 -8.164 -8.247 -0.083
H(0) 3.354e-036
H2 1.677e-036 1.693e-036 -35.775 -35.771 0.004
O(0) 1.673e-015
O2 8.366e-016 8.446e-016 -15.078 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -108.218 -108.305 -0.087
H2S 0.000e+000 0.000e+000 -108.405 -108.401 0.004
S-2 0.000e+000 0.000e+000 -113.539 -113.860 -0.321
S(6) 1.617e-002
SO4-2 1.038e-002 4.931e-003 -1.984 -2.307 -0.323
CaSO4 5.790e-003 5.845e-003 -2.237 -2.233 0.004
HSO4- 1.331e-007 1.100e-007 -6.876 -6.958 -0.083
CaHSO4+ 8.049e-009 6.653e-009 -8.094 -8.177 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(317 K, 1 atm)
Anhydrite -0.11 -4.61 -4.49 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.54 -35.77 -3.23 H2
H2O(g) -1.05 -0.00 1.05 H2O
H2S(g) -107.20 -108.40 -1.20 H2S
O2(g) -12.07 -15.07 -3.00 O2
Sulfur -80.32 -75.86 4.46 S
Reaction step 21.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.11 -4.61 -4.50 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.61 -4.61 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.616e-002 1.559e-002
S 1.616e-002 1.559e-002
----------------------------Description of solution----------------------------
pH = 6.821 Charge balance
pe = 9.378 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 45 oC) = 3170
Density (g/cm3) = 0.99242
Activity of water = 1.000
Ionic strength = 4.143e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 45.00
Electrical balance (eq) = -1.074e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070748e+002
Total O = 5.359976e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.177e-007 2.600e-007 -6.498 -6.585 -0.087
H+ 1.762e-007 1.510e-007 -6.754 -6.821 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.616e-002
Ca+2 1.036e-002 5.015e-003 -1.985 -2.300 -0.315
CaSO4 5.806e-003 5.862e-003 -2.236 -2.232 0.004
CaHSO4+ 8.419e-009 6.957e-009 -8.075 -8.158 -0.083
CaOH+ 6.666e-009 5.508e-009 -8.176 -8.259 -0.083
H(0) 4.666e-036
H2 2.333e-036 2.355e-036 -35.632 -35.628 0.004
O(0) 1.664e-015
O2 8.320e-016 8.400e-016 -15.080 -15.076 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -107.750 -107.837 -0.087
H2S 0.000e+000 0.000e+000 -107.935 -107.931 0.004
S-2 0.000e+000 0.000e+000 -113.055 -113.377 -0.322
S(6) 1.616e-002
SO4-2 1.036e-002 4.918e-003 -1.985 -2.308 -0.323
CaSO4 5.806e-003 5.862e-003 -2.236 -2.232 0.004
HSO4- 1.396e-007 1.154e-007 -6.855 -6.938 -0.083
CaHSO4+ 8.419e-009 6.957e-009 -8.075 -8.158 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(318 K, 1 atm)
Anhydrite -0.11 -4.61 -4.50 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.40 -35.63 -3.23 H2
H2O(g) -1.03 -0.00 1.03 H2O
H2S(g) -106.72 -107.93 -1.21 H2S
O2(g) -12.07 -15.08 -3.01 O2
Sulfur -79.98 -75.53 4.44 S
Reaction step 22.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.10 -4.61 -4.51 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.61 -4.61 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.616e-002 1.559e-002
S 1.616e-002 1.559e-002
----------------------------Description of solution----------------------------
pH = 6.810 Charge balance
pe = 9.317 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 46 oC) = 3219
Density (g/cm3) = 0.99200
Activity of water = 1.000
Ionic strength = 4.135e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 46.00
Electrical balance (eq) = -1.077e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070748e+002
Total O = 5.359973e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.296e-007 2.696e-007 -6.482 -6.569 -0.087
H+ 1.807e-007 1.549e-007 -6.743 -6.810 -0.067
H2O 5.551e+001 9.995e-001 1.744 -0.000 0.000
Ca 1.616e-002
Ca+2 1.034e-002 5.001e-003 -1.986 -2.301 -0.315
CaSO4 5.821e-003 5.877e-003 -2.235 -2.231 0.004
CaHSO4+ 8.804e-009 7.273e-009 -8.055 -8.138 -0.083
CaOH+ 6.484e-009 5.357e-009 -8.188 -8.271 -0.083
H(0) 6.438e-036
H2 3.219e-036 3.250e-036 -35.492 -35.488 0.004
O(0) 1.675e-015
O2 8.375e-016 8.455e-016 -15.077 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -107.295 -107.382 -0.087
H2S 0.000e+000 0.000e+000 -107.478 -107.473 0.004
S-2 0.000e+000 0.000e+000 -112.585 -112.907 -0.322
S(6) 1.616e-002
SO4-2 1.034e-002 4.904e-003 -1.986 -2.309 -0.324
CaSO4 5.821e-003 5.877e-003 -2.235 -2.231 0.004
HSO4- 1.464e-007 1.210e-007 -6.834 -6.917 -0.083
CaHSO4+ 8.804e-009 7.273e-009 -8.055 -8.138 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(319 K, 1 atm)
Anhydrite -0.10 -4.61 -4.51 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.25 -35.49 -3.23 H2
H2O(g) -1.00 -0.00 1.00 H2O
H2S(g) -106.26 -107.47 -1.22 H2S
O2(g) -12.06 -15.07 -3.01 O2
Sulfur -79.64 -75.22 4.42 S
Reaction step 23.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.09 -4.61 -4.52 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.61 -4.61 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.615e-002 1.558e-002
S 1.615e-002 1.558e-002
----------------------------Description of solution----------------------------
pH = 6.799 Charge balance
pe = 9.257 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 47 oC) = 3268
Density (g/cm3) = 0.99157
Activity of water = 1.000
Ionic strength = 4.127e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 47.00
Electrical balance (eq) = -1.078e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 23
Total H = 1.070747e+002
Total O = 5.359969e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.417e-007 2.795e-007 -6.466 -6.554 -0.087
H+ 1.852e-007 1.587e-007 -6.732 -6.799 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.615e-002
Ca+2 1.032e-002 4.986e-003 -1.986 -2.302 -0.316
CaSO4 5.835e-003 5.891e-003 -2.234 -2.230 0.004
CaHSO4+ 9.202e-009 7.600e-009 -8.036 -8.119 -0.083
CaOH+ 6.310e-009 5.211e-009 -8.200 -8.283 -0.083
H(0) 8.825e-036
H2 4.413e-036 4.455e-036 -35.355 -35.351 0.004
O(0) 1.702e-015
O2 8.509e-016 8.590e-016 -15.070 -15.066 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -106.852 -106.939 -0.087
H2S 0.000e+000 0.000e+000 -107.031 -107.027 0.004
S-2 0.000e+000 0.000e+000 -112.125 -112.448 -0.323
S(6) 1.615e-002
SO4-2 1.032e-002 4.890e-003 -1.986 -2.311 -0.324
CaSO4 5.835e-003 5.891e-003 -2.234 -2.230 0.004
HSO4- 1.535e-007 1.268e-007 -6.814 -6.897 -0.083
CaHSO4+ 9.202e-009 7.600e-009 -8.036 -8.119 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(320 K, 1 atm)
Anhydrite -0.09 -4.61 -4.52 CaSO4
Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O
H2(g) -32.11 -35.35 -3.24 H2
H2O(g) -0.98 -0.00 0.98 H2O
H2S(g) -105.80 -107.03 -1.23 H2S
O2(g) -12.05 -15.07 -3.02 O2
Sulfur -79.32 -74.91 4.40 S
Reaction step 24.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.08 -4.62 -4.53 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.62 -4.62 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.614e-002 1.557e-002
S 1.614e-002 1.557e-002
----------------------------Description of solution----------------------------
pH = 6.789 Charge balance
pe = 9.194 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 48 oC) = 3316
Density (g/cm3) = 0.99114
Activity of water = 1.000
Ionic strength = 4.118e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 48.00
Electrical balance (eq) = -1.079e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 27
Total H = 1.070747e+002
Total O = 5.359963e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.543e-007 2.897e-007 -6.451 -6.538 -0.087
H+ 1.898e-007 1.626e-007 -6.722 -6.789 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.614e-002
Ca+2 1.029e-002 4.971e-003 -1.987 -2.304 -0.316
CaSO4 5.847e-003 5.903e-003 -2.233 -2.229 0.004
CaHSO4+ 9.614e-009 7.938e-009 -8.017 -8.100 -0.083
CaOH+ 6.141e-009 5.070e-009 -8.212 -8.295 -0.083
H(0) 1.228e-035
H2 6.138e-036 6.197e-036 -35.212 -35.208 0.004
O(0) 1.672e-015
O2 8.360e-016 8.440e-016 -15.078 -15.074 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -106.382 -106.469 -0.087
H2S 0.000e+000 0.000e+000 -106.559 -106.555 0.004
S-2 0.000e+000 0.000e+000 -111.640 -111.963 -0.323
S(6) 1.614e-002
SO4-2 1.029e-002 4.875e-003 -1.987 -2.312 -0.325
CaSO4 5.847e-003 5.903e-003 -2.233 -2.229 0.004
HSO4- 1.609e-007 1.328e-007 -6.794 -6.877 -0.083
CaHSO4+ 9.614e-009 7.938e-009 -8.017 -8.100 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(321 K, 1 atm)
Anhydrite -0.08 -4.62 -4.53 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.97 -35.21 -3.24 H2
H2O(g) -0.96 -0.00 0.96 H2O
H2S(g) -105.32 -106.55 -1.24 H2S
O2(g) -12.05 -15.07 -3.02 O2
Sulfur -78.97 -74.59 4.38 S
Reaction step 25.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.08 -4.62 -4.54 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.62 -4.62 1.000e+000 1.984e+000 9.844e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.613e-002 1.556e-002
S 1.613e-002 1.556e-002
----------------------------Description of solution----------------------------
pH = 6.778 Charge balance
pe = 9.141 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 49 oC) = 3364
Density (g/cm3) = 0.99070
Activity of water = 1.000
Ionic strength = 4.108e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 49.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070747e+002
Total O = 5.359956e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.672e-007 3.002e-007 -6.435 -6.523 -0.087
H+ 1.945e-007 1.666e-007 -6.711 -6.778 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.613e-002
Ca+2 1.027e-002 4.956e-003 -1.988 -2.305 -0.317
CaSO4 5.858e-003 5.914e-003 -2.232 -2.228 0.004
CaHSO4+ 1.004e-008 8.288e-009 -7.998 -8.082 -0.083
CaOH+ 5.978e-009 4.935e-009 -8.223 -8.307 -0.083
H(0) 1.629e-035
H2 8.144e-036 8.221e-036 -35.089 -35.085 0.004
O(0) 1.799e-015
O2 8.995e-016 9.080e-016 -15.046 -15.042 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -105.994 -106.081 -0.087
H2S 0.000e+000 0.000e+000 -106.169 -106.164 0.004
S-2 0.000e+000 0.000e+000 -111.237 -111.560 -0.323
S(6) 1.613e-002
SO4-2 1.027e-002 4.860e-003 -1.988 -2.313 -0.325
CaSO4 5.858e-003 5.914e-003 -2.232 -2.228 0.004
HSO4- 1.685e-007 1.391e-007 -6.773 -6.857 -0.083
CaHSO4+ 1.004e-008 8.288e-009 -7.998 -8.082 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(322 K, 1 atm)
Anhydrite -0.08 -4.62 -4.54 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.84 -35.09 -3.25 H2
H2O(g) -0.94 -0.00 0.94 H2O
H2S(g) -104.92 -106.16 -1.25 H2S
O2(g) -12.02 -15.04 -3.03 O2
Sulfur -78.69 -74.33 4.36 S
Reaction step 26.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.07 -4.62 -4.55 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.62 -4.62 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.611e-002 1.554e-002
S 1.611e-002 1.554e-002
----------------------------Description of solution----------------------------
pH = 6.768 Charge balance
pe = 8.983 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 50 oC) = 3412
Density (g/cm3) = 0.99025
Activity of water = 1.000
Ionic strength = 4.098e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 50.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070746e+002
Total O = 5.359947e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.805e-007 3.110e-007 -6.420 -6.507 -0.088
H+ 1.992e-007 1.706e-007 -6.701 -6.768 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.611e-002
Ca+2 1.025e-002 4.940e-003 -1.989 -2.306 -0.317
CaSO4 5.867e-003 5.923e-003 -2.232 -2.227 0.004
CaHSO4+ 1.048e-008 8.650e-009 -7.980 -8.063 -0.083
CaOH+ 5.820e-009 4.804e-009 -8.235 -8.318 -0.083
H(0) 3.511e-035
H2 1.755e-035 1.772e-035 -34.756 -34.752 0.004
O(0) 7.303e-016
O2 3.652e-016 3.686e-016 -15.438 -15.433 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -104.762 -104.849 -0.088
H2S 0.000e+000 0.000e+000 -104.934 -104.930 0.004
S-2 0.000e+000 0.000e+000 -109.990 -110.313 -0.324
S(6) 1.611e-002
SO4-2 1.025e-002 4.845e-003 -1.989 -2.315 -0.325
CaSO4 5.867e-003 5.923e-003 -2.232 -2.227 0.004
HSO4- 1.765e-007 1.457e-007 -6.753 -6.837 -0.083
CaHSO4+ 1.048e-008 8.650e-009 -7.980 -8.063 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(323 K, 1 atm)
Anhydrite -0.07 -4.62 -4.55 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.50 -34.75 -3.25 H2
H2O(g) -0.91 -0.00 0.91 H2O
H2S(g) -103.67 -104.93 -1.26 H2S
O2(g) -12.40 -15.43 -3.03 O2
Sulfur -77.77 -73.43 4.34 S
Reaction step 27.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.06 -4.62 -4.56 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.62 -4.62 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.609e-002 1.552e-002
S 1.609e-002 1.552e-002
----------------------------Description of solution----------------------------
pH = 6.758 Charge balance
pe = 9.059 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 51 oC) = 3459
Density (g/cm3) = 0.98980
Activity of water = 1.000
Ionic strength = 4.088e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 51.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070745e+002
Total O = 5.359936e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 3.941e-007 3.221e-007 -6.404 -6.492 -0.088
H+ 2.039e-007 1.746e-007 -6.691 -6.758 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.609e-002
Ca+2 1.022e-002 4.923e-003 -1.991 -2.308 -0.317
CaSO4 5.875e-003 5.930e-003 -2.231 -2.227 0.004
CaHSO4+ 1.094e-008 9.025e-009 -7.961 -8.045 -0.083
CaOH+ 5.668e-009 4.677e-009 -8.247 -8.330 -0.083
H(0) 2.564e-035
H2 1.282e-035 1.294e-035 -34.892 -34.888 0.004
O(0) 2.573e-015
O2 1.286e-015 1.299e-015 -14.891 -14.887 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -105.410 -105.498 -0.088
H2S 0.000e+000 0.000e+000 -105.580 -105.576 0.004
S-2 0.000e+000 0.000e+000 -110.622 -110.946 -0.324
S(6) 1.609e-002
SO4-2 1.022e-002 4.829e-003 -1.991 -2.316 -0.326
CaSO4 5.875e-003 5.930e-003 -2.231 -2.227 0.004
HSO4- 1.848e-007 1.525e-007 -6.733 -6.817 -0.083
CaHSO4+ 1.094e-008 9.025e-009 -7.961 -8.045 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(324 K, 1 atm)
Anhydrite -0.06 -4.62 -4.56 CaSO4
Gypsum 0.00 -4.62 -4.62 CaSO4:2H2O
H2(g) -31.63 -34.89 -3.25 H2
H2O(g) -0.89 -0.00 0.89 H2O
H2S(g) -104.31 -105.58 -1.27 H2S
O2(g) -11.85 -14.89 -3.03 O2
Sulfur -78.26 -73.94 4.32 S
Reaction step 28.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.05 -4.63 -4.58 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.63 -4.63 1.000e+000 1.984e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.607e-002 1.550e-002
S 1.607e-002 1.550e-002
----------------------------Description of solution----------------------------
pH = 6.748 Charge balance
pe = 8.954 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 52 oC) = 3506
Density (g/cm3) = 0.98935
Activity of water = 1.000
Ionic strength = 4.077e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 52.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.070744e+002
Total O = 5.359924e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.081e-007 3.335e-007 -6.389 -6.477 -0.088
H+ 2.087e-007 1.787e-007 -6.680 -6.748 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.607e-002
Ca+2 1.019e-002 4.906e-003 -1.992 -2.309 -0.318
CaSO4 5.881e-003 5.937e-003 -2.231 -2.226 0.004
CaHSO4+ 1.141e-008 9.411e-009 -7.943 -8.026 -0.084
CaOH+ 5.521e-009 4.555e-009 -8.258 -8.342 -0.084
H(0) 4.335e-035
H2 2.168e-035 2.188e-035 -34.664 -34.660 0.004
O(0) 1.684e-015
O2 8.422e-016 8.501e-016 -15.075 -15.071 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -104.599 -104.687 -0.088
H2S 0.000e+000 0.000e+000 -104.766 -104.762 0.004
S-2 0.000e+000 0.000e+000 -109.796 -110.120 -0.324
S(6) 1.607e-002
SO4-2 1.019e-002 4.813e-003 -1.992 -2.318 -0.326
CaSO4 5.881e-003 5.937e-003 -2.231 -2.226 0.004
HSO4- 1.934e-007 1.596e-007 -6.714 -6.797 -0.084
CaHSO4+ 1.141e-008 9.411e-009 -7.943 -8.026 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(325 K, 1 atm)
Anhydrite -0.05 -4.63 -4.58 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -31.40 -34.66 -3.26 H2
H2O(g) -0.87 -0.00 0.87 H2O
H2S(g) -103.49 -104.76 -1.28 H2S
O2(g) -12.03 -15.07 -3.04 O2
Sulfur -77.66 -73.36 4.30 S
Reaction step 29.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.63 -4.59 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.63 -4.63 1.000e+000 1.985e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.605e-002 1.548e-002
S 1.605e-002 1.548e-002
----------------------------Description of solution----------------------------
pH = 6.738 Charge balance
pe = 8.893 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 53 oC) = 3553
Density (g/cm3) = 0.98888
Activity of water = 1.000
Ionic strength = 4.066e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 53.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070744e+002
Total O = 5.359910e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.225e-007 3.452e-007 -6.374 -6.462 -0.088
H+ 2.136e-007 1.828e-007 -6.670 -6.738 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.605e-002
Ca+2 1.016e-002 4.889e-003 -1.993 -2.311 -0.318
CaSO4 5.886e-003 5.942e-003 -2.230 -2.226 0.004
CaHSO4+ 1.189e-008 9.811e-009 -7.925 -8.008 -0.084
CaOH+ 5.379e-009 4.437e-009 -8.269 -8.353 -0.084
H(0) 5.949e-035
H2 2.975e-035 3.003e-035 -34.527 -34.522 0.004
O(0) 1.668e-015
O2 8.338e-016 8.416e-016 -15.079 -15.075 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -104.150 -104.238 -0.088
H2S 0.000e+000 0.000e+000 -104.315 -104.311 0.004
S-2 0.000e+000 0.000e+000 -109.332 -109.657 -0.325
S(6) 1.605e-002
SO4-2 1.016e-002 4.796e-003 -1.993 -2.319 -0.326
CaSO4 5.886e-003 5.942e-003 -2.230 -2.226 0.004
HSO4- 2.024e-007 1.669e-007 -6.694 -6.778 -0.084
CaHSO4+ 1.189e-008 9.811e-009 -7.925 -8.008 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(326 K, 1 atm)
Anhydrite -0.04 -4.63 -4.59 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -31.26 -34.52 -3.26 H2
H2O(g) -0.85 -0.00 0.85 H2O
H2S(g) -103.03 -104.31 -1.28 H2S
O2(g) -12.03 -15.07 -3.04 O2
Sulfur -77.33 -73.05 4.28 S
Reaction step 30.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.03 -4.63 -4.60 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.63 -4.63 1.000e+000 1.985e+000 9.845e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.602e-002 1.546e-002
S 1.602e-002 1.546e-002
----------------------------Description of solution----------------------------
pH = 6.728 Charge balance
pe = 8.833 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 54 oC) = 3599
Density (g/cm3) = 0.98842
Activity of water = 1.000
Ionic strength = 4.054e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 54.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070743e+002
Total O = 5.359895e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.374e-007 3.573e-007 -6.359 -6.447 -0.088
H+ 2.184e-007 1.869e-007 -6.661 -6.728 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.602e-002
Ca+2 1.013e-002 4.871e-003 -1.994 -2.312 -0.318
CaSO4 5.890e-003 5.945e-003 -2.230 -2.226 0.004
CaHSO4+ 1.240e-008 1.022e-008 -7.907 -7.990 -0.084
CaOH+ 5.242e-009 4.323e-009 -8.280 -8.364 -0.084
H(0) 8.110e-035
H2 4.055e-035 4.093e-035 -34.392 -34.388 0.004
O(0) 1.667e-015
O2 8.333e-016 8.412e-016 -15.079 -15.075 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -103.713 -103.800 -0.088
H2S 0.000e+000 0.000e+000 -103.874 -103.870 0.004
S-2 0.000e+000 0.000e+000 -108.879 -109.204 -0.325
S(6) 1.602e-002
SO4-2 1.013e-002 4.779e-003 -1.994 -2.321 -0.327
CaSO4 5.890e-003 5.945e-003 -2.230 -2.226 0.004
HSO4- 2.117e-007 1.746e-007 -6.674 -6.758 -0.084
CaHSO4+ 1.240e-008 1.022e-008 -7.907 -7.990 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(327 K, 1 atm)
Anhydrite -0.03 -4.63 -4.60 CaSO4
Gypsum 0.00 -4.63 -4.63 CaSO4:2H2O
H2(g) -31.12 -34.39 -3.26 H2
H2O(g) -0.83 -0.00 0.83 H2O
H2S(g) -102.58 -103.87 -1.29 H2S
O2(g) -12.03 -15.08 -3.05 O2
Sulfur -77.01 -72.75 4.26 S
Reaction step 31.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.03 -4.64 -4.61 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.64 -4.64 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.600e-002 1.543e-002
S 1.600e-002 1.543e-002
----------------------------Description of solution----------------------------
pH = 6.719 Charge balance
pe = 8.775 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 55 oC) = 3645
Density (g/cm3) = 0.98795
Activity of water = 1.000
Ionic strength = 4.042e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 55.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 19
Total H = 1.070741e+002
Total O = 5.359879e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.526e-007 3.697e-007 -6.344 -6.432 -0.088
H+ 2.233e-007 1.911e-007 -6.651 -6.719 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.600e-002
Ca+2 1.010e-002 4.853e-003 -1.995 -2.314 -0.318
CaSO4 5.892e-003 5.947e-003 -2.230 -2.226 0.004
CaHSO4+ 1.292e-008 1.065e-008 -7.889 -7.973 -0.084
CaOH+ 5.110e-009 4.213e-009 -8.292 -8.375 -0.084
H(0) 1.103e-034
H2 5.513e-035 5.565e-035 -34.259 -34.255 0.004
O(0) 1.668e-015
O2 8.342e-016 8.420e-016 -15.079 -15.075 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -103.279 -103.367 -0.088
H2S 0.000e+000 0.000e+000 -103.438 -103.434 0.004
S-2 0.000e+000 0.000e+000 -108.430 -108.755 -0.325
S(6) 1.600e-002
SO4-2 1.010e-002 4.761e-003 -1.995 -2.322 -0.327
CaSO4 5.892e-003 5.947e-003 -2.230 -2.226 0.004
HSO4- 2.214e-007 1.825e-007 -6.655 -6.739 -0.084
CaHSO4+ 1.292e-008 1.065e-008 -7.889 -7.973 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(328 K, 1 atm)
Anhydrite -0.03 -4.64 -4.61 CaSO4
Gypsum 0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -30.99 -34.25 -3.27 H2
H2O(g) -0.81 -0.00 0.80 H2O
H2S(g) -102.13 -103.43 -1.30 H2S
O2(g) -12.03 -15.07 -3.05 O2
Sulfur -76.69 -72.45 4.25 S
Reaction step 32.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.02 -4.64 -4.62 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.64 -4.64 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.597e-002 1.540e-002
S 1.597e-002 1.540e-002
----------------------------Description of solution----------------------------
pH = 6.709 Charge balance
pe = 8.716 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 56 oC) = 3690
Density (g/cm3) = 0.98747
Activity of water = 1.000
Ionic strength = 4.029e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 56.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 16
Total H = 1.070740e+002
Total O = 5.359861e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.683e-007 3.824e-007 -6.330 -6.417 -0.088
H+ 2.283e-007 1.953e-007 -6.642 -6.709 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.597e-002
Ca+2 1.007e-002 4.835e-003 -1.997 -2.316 -0.319
CaSO4 5.893e-003 5.948e-003 -2.230 -2.226 0.004
CaHSO4+ 1.345e-008 1.109e-008 -7.871 -7.955 -0.084
CaOH+ 4.982e-009 4.106e-009 -8.303 -8.387 -0.084
H(0) 1.494e-034
H2 7.471e-035 7.540e-035 -34.127 -34.123 0.004
O(0) 1.675e-015
O2 8.376e-016 8.454e-016 -15.077 -15.073 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -102.851 -102.939 -0.088
H2S 0.000e+000 0.000e+000 -103.007 -103.003 0.004
S-2 0.000e+000 0.000e+000 -107.987 -108.312 -0.325
S(6) 1.597e-002
SO4-2 1.007e-002 4.743e-003 -1.997 -2.324 -0.327
CaSO4 5.893e-003 5.948e-003 -2.230 -2.226 0.004
HSO4- 2.314e-007 1.907e-007 -6.636 -6.720 -0.084
CaHSO4+ 1.345e-008 1.109e-008 -7.871 -7.955 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(329 K, 1 atm)
Anhydrite -0.02 -4.64 -4.62 CaSO4
Gypsum 0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -30.85 -34.12 -3.27 H2
H2O(g) -0.78 -0.00 0.78 H2O
H2S(g) -101.69 -103.00 -1.31 H2S
O2(g) -12.02 -15.07 -3.05 O2
Sulfur -76.38 -72.15 4.23 S
Reaction step 33.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.01 -4.64 -4.63 1.000e+000 0 -1.000e+000
Gypsum 0.00 -4.64 -4.64 1.000e+000 1.985e+000 9.846e-001
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.593e-002 1.537e-002
S 1.593e-002 1.537e-002
----------------------------Description of solution----------------------------
pH = 6.700 Charge balance
pe = 8.657 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 57 oC) = 3735
Density (g/cm3) = 0.98699
Activity of water = 1.000
Ionic strength = 4.016e-002
Mass of water (kg) = 9.645e-001
Total alkalinity (eq/kg) = 1.122e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 57.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.070739e+002
Total O = 5.359842e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 4.844e-007 3.955e-007 -6.315 -6.403 -0.088
H+ 2.333e-007 1.995e-007 -6.632 -6.700 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.593e-002
Ca+2 1.004e-002 4.816e-003 -1.998 -2.317 -0.319
CaSO4 5.892e-003 5.947e-003 -2.230 -2.226 0.004
CaHSO4+ 1.400e-008 1.154e-008 -7.854 -7.938 -0.084
CaOH+ 4.858e-009 4.004e-009 -8.314 -8.398 -0.084
H(0) 2.028e-034
H2 1.014e-034 1.023e-034 -33.994 -33.990 0.004
O(0) 1.670e-015
O2 8.350e-016 8.428e-016 -15.078 -15.074 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -102.419 -102.507 -0.088
H2S 0.000e+000 0.000e+000 -102.572 -102.568 0.004
S-2 0.000e+000 0.000e+000 -107.540 -107.866 -0.326
S(6) 1.593e-002
SO4-2 1.004e-002 4.725e-003 -1.998 -2.326 -0.327
CaSO4 5.892e-003 5.947e-003 -2.230 -2.226 0.004
HSO4- 2.418e-007 1.993e-007 -6.616 -6.700 -0.084
CaHSO4+ 1.400e-008 1.154e-008 -7.854 -7.938 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(330 K, 1 atm)
Anhydrite -0.01 -4.64 -4.63 CaSO4
Gypsum 0.00 -4.64 -4.64 CaSO4:2H2O
H2(g) -30.71 -33.99 -3.27 H2
H2O(g) -0.76 -0.00 0.76 H2O
H2S(g) -101.25 -102.57 -1.32 H2S
O2(g) -12.02 -15.07 -3.06 O2
Sulfur -76.06 -71.85 4.21 S
Reaction step 34.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.65 -4.65 1.000e+000 1.984e+000 9.835e-001
Gypsum -0.00 -4.65 -4.65 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.588e-002 1.646e-002
S 1.588e-002 1.646e-002
----------------------------Description of solution----------------------------
pH = 6.691 Charge balance
pe = 8.638 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 58 oC) = 3778
Density (g/cm3) = 0.98651
Activity of water = 1.000
Ionic strength = 4.000e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 58.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 18
Total H = 1.150124e+002
Total O = 5.757204e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.008e-007 4.089e-007 -6.300 -6.388 -0.088
H+ 2.383e-007 2.038e-007 -6.623 -6.691 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.588e-002
Ca+2 1.000e-002 4.794e-003 -2.000 -2.319 -0.319
CaSO4 5.884e-003 5.939e-003 -2.230 -2.226 0.004
CaHSO4+ 1.456e-008 1.200e-008 -7.837 -7.921 -0.084
CaOH+ 4.735e-009 3.902e-009 -8.325 -8.409 -0.084
H(0) 2.296e-034
H2 1.148e-034 1.159e-034 -33.940 -33.936 0.004
O(0) 2.384e-015
O2 1.192e-015 1.203e-015 -14.924 -14.920 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -102.302 -102.390 -0.088
H2S 0.000e+000 0.000e+000 -102.452 -102.448 0.004
S-2 0.000e+000 0.000e+000 -107.408 -107.734 -0.326
S(6) 1.588e-002
SO4-2 9.999e-003 4.704e-003 -2.000 -2.328 -0.327
CaSO4 5.884e-003 5.939e-003 -2.230 -2.226 0.004
HSO4- 2.526e-007 2.081e-007 -6.598 -6.682 -0.084
CaHSO4+ 1.456e-008 1.200e-008 -7.837 -7.921 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(331 K, 1 atm)
Anhydrite 0.00 -4.65 -4.65 CaSO4
Gypsum -0.00 -4.65 -4.65 CaSO4:2H2O
H2(g) -30.66 -33.94 -3.28 H2
H2O(g) -0.74 -0.00 0.74 H2O
H2S(g) -101.12 -102.45 -1.33 H2S
O2(g) -11.86 -14.92 -3.06 O2
Sulfur -75.98 -71.79 4.19 S
Reaction step 35.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.66 -4.66 1.000e+000 1.984e+000 9.839e-001
Gypsum -0.01 -4.66 -4.65 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.558e-002 1.614e-002
S 1.558e-002 1.614e-002
----------------------------Description of solution----------------------------
pH = 6.681 Charge balance
pe = 8.533 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 59 oC) = 3773
Density (g/cm3) = 0.98599
Activity of water = 1.000
Ionic strength = 3.929e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 59.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.757079e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.158e-007 4.215e-007 -6.288 -6.375 -0.088
H+ 2.438e-007 2.087e-007 -6.613 -6.681 -0.068
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.558e-002
Ca+2 9.822e-003 4.724e-003 -2.008 -2.326 -0.318
CaSO4 5.760e-003 5.812e-003 -2.240 -2.236 0.004
CaHSO4+ 1.485e-008 1.225e-008 -7.828 -7.912 -0.084
CaOH+ 4.554e-009 3.756e-009 -8.342 -8.425 -0.084
H(0) 3.865e-034
H2 1.933e-034 1.950e-034 -33.714 -33.710 0.004
O(0) 1.535e-015
O2 7.674e-016 7.744e-016 -15.115 -15.111 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -101.500 -101.588 -0.088
H2S 0.000e+000 0.000e+000 -101.645 -101.641 0.004
S-2 0.000e+000 0.000e+000 -106.593 -106.917 -0.324
S(6) 1.558e-002
SO4-2 9.822e-003 4.637e-003 -2.008 -2.334 -0.326
CaSO4 5.760e-003 5.812e-003 -2.240 -2.236 0.004
HSO4- 2.615e-007 2.157e-007 -6.582 -6.666 -0.084
CaHSO4+ 1.485e-008 1.225e-008 -7.828 -7.912 -0.084
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(332 K, 1 atm)
Anhydrite 0.00 -4.66 -4.66 CaSO4
Gypsum -0.01 -4.66 -4.65 CaSO4:2H2O
H2(g) -30.43 -33.71 -3.28 H2
H2O(g) -0.72 -0.00 0.72 H2O
H2S(g) -100.30 -101.64 -1.34 H2S
O2(g) -12.05 -15.11 -3.06 O2
Sulfur -75.38 -71.21 4.17 S
Reaction step 36.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.67 -4.67 1.000e+000 1.984e+000 9.842e-001
Gypsum -0.02 -4.67 -4.65 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.528e-002 1.583e-002
S 1.528e-002 1.583e-002
----------------------------Description of solution----------------------------
pH = 6.670 Charge balance
pe = 8.525 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 60 oC) = 3767
Density (g/cm3) = 0.98547
Activity of water = 1.000
Ionic strength = 3.858e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 60.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756954e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.310e-007 4.344e-007 -6.275 -6.362 -0.087
H+ 2.494e-007 2.136e-007 -6.603 -6.670 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.528e-002
Ca+2 9.645e-003 4.654e-003 -2.016 -2.332 -0.316
CaSO4 5.636e-003 5.686e-003 -2.249 -2.245 0.004
CaHSO4+ 1.515e-008 1.250e-008 -7.820 -7.903 -0.083
CaOH+ 4.379e-009 3.615e-009 -8.359 -8.442 -0.083
H(0) 4.175e-034
H2 2.087e-034 2.106e-034 -33.680 -33.677 0.004
O(0) 2.391e-015
O2 1.196e-015 1.206e-015 -14.922 -14.919 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -101.468 -101.555 -0.087
H2S 0.000e+000 0.000e+000 -101.608 -101.604 0.004
S-2 0.000e+000 0.000e+000 -106.548 -106.871 -0.323
S(6) 1.528e-002
SO4-2 9.644e-003 4.570e-003 -2.016 -2.340 -0.324
CaSO4 5.636e-003 5.686e-003 -2.249 -2.245 0.004
HSO4- 2.707e-007 2.234e-007 -6.568 -6.651 -0.083
CaHSO4+ 1.515e-008 1.250e-008 -7.820 -7.903 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(333 K, 1 atm)
Anhydrite 0.00 -4.67 -4.67 CaSO4
Gypsum -0.02 -4.67 -4.65 CaSO4:2H2O
H2(g) -30.39 -33.68 -3.29 H2
H2O(g) -0.70 -0.00 0.70 H2O
H2S(g) -100.26 -101.60 -1.35 H2S
O2(g) -11.85 -14.92 -3.06 O2
Sulfur -75.36 -71.21 4.15 S
Reaction step 37.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.69 -4.69 1.000e+000 1.984e+000 9.845e-001
Gypsum -0.03 -4.69 -4.66 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.498e-002 1.552e-002
S 1.498e-002 1.552e-002
----------------------------Description of solution----------------------------
pH = 6.660 Charge balance
pe = 8.422 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 61 oC) = 3759
Density (g/cm3) = 0.98494
Activity of water = 1.000
Ionic strength = 3.787e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 61.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756829e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.465e-007 4.476e-007 -6.262 -6.349 -0.087
H+ 2.551e-007 2.186e-007 -6.593 -6.660 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.498e-002
Ca+2 9.468e-003 4.584e-003 -2.024 -2.339 -0.315
CaSO4 5.511e-003 5.559e-003 -2.259 -2.255 0.004
CaHSO4+ 1.544e-008 1.275e-008 -7.811 -7.894 -0.083
CaOH+ 4.211e-009 3.479e-009 -8.376 -8.459 -0.083
H(0) 6.959e-034
H2 3.479e-034 3.510e-034 -33.458 -33.455 0.004
O(0) 1.558e-015
O2 7.792e-016 7.860e-016 -15.108 -15.105 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -100.682 -100.769 -0.087
H2S 0.000e+000 0.000e+000 -100.817 -100.813 0.004
S-2 0.000e+000 0.000e+000 -105.749 -106.071 -0.321
S(6) 1.498e-002
SO4-2 9.467e-003 4.503e-003 -2.024 -2.347 -0.323
CaSO4 5.511e-003 5.559e-003 -2.259 -2.255 0.004
HSO4- 2.801e-007 2.314e-007 -6.553 -6.636 -0.083
CaHSO4+ 1.544e-008 1.275e-008 -7.811 -7.894 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(334 K, 1 atm)
Anhydrite 0.00 -4.69 -4.69 CaSO4
Gypsum -0.03 -4.69 -4.66 CaSO4:2H2O
H2(g) -30.17 -33.45 -3.29 H2
H2O(g) -0.68 -0.00 0.68 H2O
H2S(g) -99.46 -100.81 -1.36 H2S
O2(g) -12.04 -15.10 -3.07 O2
Sulfur -74.78 -70.65 4.13 S
Reaction step 38.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.70 -4.70 1.000e+000 1.985e+000 9.848e-001
Gypsum -0.04 -4.70 -4.66 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.468e-002 1.521e-002
S 1.468e-002 1.521e-002
----------------------------Description of solution----------------------------
pH = 6.650 Charge balance
pe = 8.364 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 62 oC) = 3750
Density (g/cm3) = 0.98441
Activity of water = 1.000
Ionic strength = 3.717e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 62.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756704e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.623e-007 4.611e-007 -6.250 -6.336 -0.086
H+ 2.608e-007 2.236e-007 -6.584 -6.650 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.468e-002
Ca+2 9.291e-003 4.514e-003 -2.032 -2.345 -0.314
CaSO4 5.386e-003 5.433e-003 -2.269 -2.265 0.004
CaHSO4+ 1.572e-008 1.300e-008 -7.803 -7.886 -0.083
CaOH+ 4.049e-009 3.349e-009 -8.393 -8.475 -0.083
H(0) 9.445e-034
H2 4.723e-034 4.763e-034 -33.326 -33.322 0.004
O(0) 1.527e-015
O2 7.633e-016 7.699e-016 -15.117 -15.114 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -100.252 -100.338 -0.086
H2S 0.000e+000 0.000e+000 -100.382 -100.379 0.004
S-2 0.000e+000 0.000e+000 -105.307 -105.627 -0.320
S(6) 1.468e-002
SO4-2 9.291e-003 4.435e-003 -2.032 -2.353 -0.321
CaSO4 5.386e-003 5.433e-003 -2.269 -2.265 0.004
HSO4- 2.897e-007 2.396e-007 -6.538 -6.621 -0.083
CaHSO4+ 1.572e-008 1.300e-008 -7.803 -7.886 -0.083
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(335 K, 1 atm)
Anhydrite 0.00 -4.70 -4.70 CaSO4
Gypsum -0.04 -4.70 -4.66 CaSO4:2H2O
H2(g) -30.03 -33.32 -3.29 H2
H2O(g) -0.66 -0.00 0.66 H2O
H2S(g) -99.01 -100.38 -1.37 H2S
O2(g) -12.04 -15.11 -3.07 O2
Sulfur -74.46 -70.35 4.11 S
Reaction step 39.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.71 -4.71 1.000e+000 1.985e+000 9.851e-001
Gypsum -0.05 -4.71 -4.67 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.438e-002 1.490e-002
S 1.438e-002 1.490e-002
----------------------------Description of solution----------------------------
pH = 6.641 Charge balance
pe = 8.330 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 63 oC) = 3740
Density (g/cm3) = 0.98388
Activity of water = 1.000
Ionic strength = 3.646e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 63.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756580e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.784e-007 4.748e-007 -6.238 -6.324 -0.086
H+ 2.666e-007 2.287e-007 -6.574 -6.641 -0.067
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.438e-002
Ca+2 9.116e-003 4.444e-003 -2.040 -2.352 -0.312
CaSO4 5.262e-003 5.307e-003 -2.279 -2.275 0.004
CaHSO4+ 1.600e-008 1.325e-008 -7.796 -7.878 -0.082
CaOH+ 3.894e-009 3.223e-009 -8.410 -8.492 -0.082
H(0) 1.150e-033
H2 5.749e-034 5.798e-034 -33.240 -33.237 0.004
O(0) 1.852e-015
O2 9.262e-016 9.340e-016 -15.033 -15.030 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -100.011 -100.097 -0.086
H2S 0.000e+000 0.000e+000 -100.136 -100.132 0.004
S-2 0.000e+000 0.000e+000 -105.054 -105.372 -0.318
S(6) 1.438e-002
SO4-2 9.115e-003 4.368e-003 -2.040 -2.360 -0.319
CaSO4 5.262e-003 5.307e-003 -2.279 -2.275 0.004
HSO4- 2.995e-007 2.479e-007 -6.524 -6.606 -0.082
CaHSO4+ 1.600e-008 1.325e-008 -7.796 -7.878 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(336 K, 1 atm)
Anhydrite 0.00 -4.71 -4.71 CaSO4
Gypsum -0.05 -4.71 -4.67 CaSO4:2H2O
H2(g) -29.94 -33.24 -3.30 H2
H2O(g) -0.64 -0.00 0.64 H2O
H2S(g) -98.76 -100.13 -1.38 H2S
O2(g) -11.96 -15.03 -3.07 O2
Sulfur -74.29 -70.19 4.09 S
Reaction step 40.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.73 -4.73 1.000e+000 1.985e+000 9.854e-001
Gypsum -0.06 -4.73 -4.67 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.408e-002 1.459e-002
S 1.408e-002 1.459e-002
----------------------------Description of solution----------------------------
pH = 6.631 Charge balance
pe = 8.254 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 64 oC) = 3727
Density (g/cm3) = 0.98335
Activity of water = 1.000
Ionic strength = 3.576e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 64.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756456e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 5.948e-007 4.888e-007 -6.226 -6.311 -0.085
H+ 2.725e-007 2.339e-007 -6.565 -6.631 -0.066
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.408e-002
Ca+2 8.941e-003 4.374e-003 -2.049 -2.359 -0.310
CaSO4 5.138e-003 5.181e-003 -2.289 -2.286 0.004
CaHSO4+ 1.628e-008 1.349e-008 -7.788 -7.870 -0.082
CaOH+ 3.744e-009 3.102e-009 -8.427 -8.508 -0.082
H(0) 1.690e-033
H2 8.449e-034 8.519e-034 -33.073 -33.070 0.004
O(0) 1.537e-015
O2 7.685e-016 7.749e-016 -15.114 -15.111 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -99.443 -99.528 -0.085
H2S 0.000e+000 0.000e+000 -99.562 -99.559 0.004
S-2 0.000e+000 0.000e+000 -104.473 -104.789 -0.316
S(6) 1.408e-002
SO4-2 8.941e-003 4.301e-003 -2.049 -2.366 -0.318
CaSO4 5.138e-003 5.181e-003 -2.289 -2.286 0.004
HSO4- 3.096e-007 2.565e-007 -6.509 -6.591 -0.082
CaHSO4+ 1.628e-008 1.349e-008 -7.788 -7.870 -0.082
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(337 K, 1 atm)
Anhydrite 0.00 -4.73 -4.73 CaSO4
Gypsum -0.06 -4.73 -4.67 CaSO4:2H2O
H2(g) -29.77 -33.07 -3.30 H2
H2O(g) -0.62 -0.00 0.62 H2O
H2S(g) -98.17 -99.56 -1.38 H2S
O2(g) -12.04 -15.11 -3.08 O2
Sulfur -73.86 -69.79 4.08 S
Reaction step 41.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.74 -4.74 1.000e+000 1.986e+000 9.857e-001
Gypsum -0.07 -4.74 -4.67 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.378e-002 1.428e-002
S 1.378e-002 1.428e-002
----------------------------Description of solution----------------------------
pH = 6.621 Charge balance
pe = 8.199 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 65 oC) = 3714
Density (g/cm3) = 0.98282
Activity of water = 1.000
Ionic strength = 3.507e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 65.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756333e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.114e-007 5.030e-007 -6.214 -6.298 -0.085
H+ 2.785e-007 2.392e-007 -6.555 -6.621 -0.066
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.378e-002
Ca+2 8.767e-003 4.305e-003 -2.057 -2.366 -0.309
CaSO4 5.015e-003 5.056e-003 -2.300 -2.296 0.004
CaHSO4+ 1.656e-008 1.373e-008 -7.781 -7.862 -0.081
CaOH+ 3.600e-009 2.986e-009 -8.444 -8.525 -0.081
H(0) 2.266e-033
H2 1.133e-033 1.142e-033 -32.946 -32.942 0.004
O(0) 1.527e-015
O2 7.634e-016 7.696e-016 -15.117 -15.114 0.004
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -99.033 -99.118 -0.085
H2S 0.000e+000 0.000e+000 -99.147 -99.144 0.004
S-2 0.000e+000 0.000e+000 -104.050 -104.365 -0.315
S(6) 1.378e-002
SO4-2 8.767e-003 4.234e-003 -2.057 -2.373 -0.316
CaSO4 5.015e-003 5.056e-003 -2.300 -2.296 0.004
HSO4- 3.199e-007 2.653e-007 -6.495 -6.576 -0.081
CaHSO4+ 1.656e-008 1.373e-008 -7.781 -7.862 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(338 K, 1 atm)
Anhydrite 0.00 -4.74 -4.74 CaSO4
Gypsum -0.07 -4.74 -4.67 CaSO4:2H2O
H2(g) -29.64 -32.94 -3.30 H2
H2O(g) -0.60 -0.00 0.60 H2O
H2S(g) -97.75 -99.14 -1.39 H2S
O2(g) -12.04 -15.11 -3.08 O2
Sulfur -73.56 -69.50 4.06 S
Reaction step 42.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.75 -4.75 1.000e+000 1.986e+000 9.860e-001
Gypsum -0.08 -4.75 -4.68 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.349e-002 1.397e-002
S 1.349e-002 1.397e-002
----------------------------Description of solution----------------------------
pH = 6.612 Charge balance
pe = 8.145 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 66 oC) = 3699
Density (g/cm3) = 0.98229
Activity of water = 1.000
Ionic strength = 3.438e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 66.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.756211e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.283e-007 5.176e-007 -6.202 -6.286 -0.084
H+ 2.845e-007 2.445e-007 -6.546 -6.612 -0.066
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.349e-002
Ca+2 8.594e-003 4.236e-003 -2.066 -2.373 -0.307
CaSO4 4.893e-003 4.931e-003 -2.310 -2.307 0.003
CaHSO4+ 1.683e-008 1.397e-008 -7.774 -7.855 -0.081
CaOH+ 3.462e-009 2.874e-009 -8.461 -8.541 -0.081
H(0) 3.013e-033
H2 1.507e-033 1.519e-033 -32.822 -32.819 0.003
O(0) 1.536e-015
O2 7.681e-016 7.742e-016 -15.115 -15.111 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -98.637 -98.721 -0.084
H2S 0.000e+000 0.000e+000 -98.746 -98.742 0.003
S-2 0.000e+000 0.000e+000 -103.642 -103.955 -0.313
S(6) 1.349e-002
SO4-2 8.594e-003 4.167e-003 -2.066 -2.380 -0.314
CaSO4 4.893e-003 4.931e-003 -2.310 -2.307 0.003
HSO4- 3.304e-007 2.743e-007 -6.481 -6.562 -0.081
CaHSO4+ 1.683e-008 1.397e-008 -7.774 -7.855 -0.081
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(339 K, 1 atm)
Anhydrite 0.00 -4.75 -4.75 CaSO4
Gypsum -0.08 -4.75 -4.68 CaSO4:2H2O
H2(g) -29.51 -32.82 -3.31 H2
H2O(g) -0.58 -0.00 0.58 H2O
H2S(g) -97.34 -98.74 -1.40 H2S
O2(g) -12.03 -15.11 -3.08 O2
Sulfur -73.27 -69.23 4.04 S
Reaction step 43.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.77 -4.77 1.000e+000 1.986e+000 9.863e-001
Gypsum -0.09 -4.77 -4.68 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.319e-002 1.367e-002
S 1.319e-002 1.367e-002
----------------------------Description of solution----------------------------
pH = 6.602 Charge balance
pe = 8.091 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 67 oC) = 3683
Density (g/cm3) = 0.98177
Activity of water = 1.000
Ionic strength = 3.369e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 67.00
Electrical balance (eq) = -1.080e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.756089e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.456e-007 5.324e-007 -6.190 -6.274 -0.084
H+ 2.905e-007 2.499e-007 -6.537 -6.602 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.319e-002
Ca+2 8.423e-003 4.167e-003 -2.075 -2.380 -0.306
CaSO4 4.771e-003 4.808e-003 -2.321 -2.318 0.003
CaHSO4+ 1.709e-008 1.420e-008 -7.767 -7.848 -0.080
CaOH+ 3.329e-009 2.766e-009 -8.478 -8.558 -0.080
H(0) 3.989e-033
H2 1.995e-033 2.010e-033 -32.700 -32.697 0.003
O(0) 1.555e-015
O2 7.774e-016 7.834e-016 -15.109 -15.106 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -98.248 -98.332 -0.084
H2S 0.000e+000 0.000e+000 -98.352 -98.348 0.003
S-2 0.000e+000 0.000e+000 -103.241 -103.553 -0.311
S(6) 1.319e-002
SO4-2 8.422e-003 4.101e-003 -2.075 -2.387 -0.313
CaSO4 4.771e-003 4.808e-003 -2.321 -2.318 0.003
HSO4- 3.412e-007 2.835e-007 -6.467 -6.547 -0.080
CaHSO4+ 1.709e-008 1.420e-008 -7.767 -7.848 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(340 K, 1 atm)
Anhydrite 0.00 -4.77 -4.77 CaSO4
Gypsum -0.09 -4.77 -4.68 CaSO4:2H2O
H2(g) -29.39 -32.70 -3.31 H2
H2O(g) -0.56 -0.00 0.56 H2O
H2S(g) -96.94 -98.35 -1.41 H2S
O2(g) -12.02 -15.11 -3.08 O2
Sulfur -72.98 -68.96 4.02 S
Reaction step 44.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.78 -4.78 1.000e+000 1.987e+000 9.866e-001
Gypsum -0.10 -4.78 -4.69 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.290e-002 1.337e-002
S 1.290e-002 1.337e-002
----------------------------Description of solution----------------------------
pH = 6.593 Charge balance
pe = 8.039 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 68 oC) = 3665
Density (g/cm3) = 0.98124
Activity of water = 1.000
Ionic strength = 3.301e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 68.00
Electrical balance (eq) = -1.073e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.755969e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.631e-007 5.475e-007 -6.178 -6.262 -0.083
H+ 2.966e-007 2.553e-007 -6.528 -6.593 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.290e-002
Ca+2 8.252e-003 4.098e-003 -2.083 -2.387 -0.304
CaSO4 4.650e-003 4.685e-003 -2.333 -2.329 0.003
CaHSO4+ 1.735e-008 1.443e-008 -7.761 -7.841 -0.080
CaOH+ 3.201e-009 2.663e-009 -8.495 -8.575 -0.080
H(0) 5.267e-033
H2 2.633e-033 2.654e-033 -32.579 -32.576 0.003
O(0) 1.577e-015
O2 7.884e-016 7.944e-016 -15.103 -15.100 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -97.864 -97.947 -0.083
H2S 0.000e+000 0.000e+000 -97.962 -97.959 0.003
S-2 0.000e+000 0.000e+000 -102.845 -103.155 -0.309
S(6) 1.290e-002
SO4-2 8.252e-003 4.034e-003 -2.083 -2.394 -0.311
CaSO4 4.650e-003 4.685e-003 -2.333 -2.329 0.003
HSO4- 3.522e-007 2.929e-007 -6.453 -6.533 -0.080
CaHSO4+ 1.735e-008 1.443e-008 -7.761 -7.841 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(341 K, 1 atm)
Anhydrite 0.00 -4.78 -4.78 CaSO4
Gypsum -0.10 -4.78 -4.69 CaSO4:2H2O
H2(g) -29.26 -32.58 -3.31 H2
H2O(g) -0.54 -0.00 0.54 H2O
H2S(g) -96.54 -97.96 -1.42 H2S
O2(g) -12.02 -15.10 -3.08 O2
Sulfur -72.70 -68.70 4.00 S
Reaction step 45.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.80 -4.80 1.000e+000 1.987e+000 9.869e-001
Gypsum -0.11 -4.80 -4.69 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.261e-002 1.307e-002
S 1.261e-002 1.307e-002
----------------------------Description of solution----------------------------
pH = 6.584 Charge balance
pe = 7.984 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 69 oC) = 3646
Density (g/cm3) = 0.98071
Activity of water = 1.000
Ionic strength = 3.233e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 69.00
Electrical balance (eq) = -1.068e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.755849e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.808e-007 5.628e-007 -6.167 -6.250 -0.083
H+ 3.028e-007 2.608e-007 -6.519 -6.584 -0.065
H2O 5.551e+001 9.996e-001 1.744 -0.000 0.000
Ca 1.261e-002
Ca+2 8.083e-003 4.029e-003 -2.092 -2.395 -0.302
CaSO4 4.530e-003 4.564e-003 -2.344 -2.341 0.003
CaHSO4+ 1.760e-008 1.466e-008 -7.754 -7.834 -0.080
CaOH+ 3.078e-009 2.563e-009 -8.512 -8.591 -0.080
H(0) 7.040e-033
H2 3.520e-033 3.547e-033 -32.453 -32.450 0.003
O(0) 1.555e-015
O2 7.774e-016 7.832e-016 -15.109 -15.106 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -97.458 -97.541 -0.083
H2S 0.000e+000 0.000e+000 -97.551 -97.547 0.003
S-2 0.000e+000 0.000e+000 -102.427 -102.735 -0.308
S(6) 1.261e-002
SO4-2 8.083e-003 3.968e-003 -2.092 -2.401 -0.309
CaSO4 4.530e-003 4.564e-003 -2.344 -2.341 0.003
HSO4- 3.634e-007 3.026e-007 -6.440 -6.519 -0.080
CaHSO4+ 1.760e-008 1.466e-008 -7.754 -7.834 -0.080
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(342 K, 1 atm)
Anhydrite 0.00 -4.80 -4.80 CaSO4
Gypsum -0.11 -4.80 -4.69 CaSO4:2H2O
H2(g) -29.13 -32.45 -3.32 H2
H2O(g) -0.52 -0.00 0.52 H2O
H2S(g) -96.12 -97.55 -1.43 H2S
O2(g) -12.02 -15.11 -3.09 O2
Sulfur -72.40 -68.41 3.99 S
Reaction step 46.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.81 -4.81 1.000e+000 1.987e+000 9.872e-001
Gypsum -0.12 -4.81 -4.69 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.233e-002 1.277e-002
S 1.233e-002 1.277e-002
----------------------------Description of solution----------------------------
pH = 6.574 Charge balance
pe = 7.930 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 70 oC) = 3626
Density (g/cm3) = 0.98019
Activity of water = 1.000
Ionic strength = 3.166e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 70.00
Electrical balance (eq) = -1.062e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.755730e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 6.989e-007 5.785e-007 -6.156 -6.238 -0.082
H+ 3.091e-007 2.664e-007 -6.510 -6.574 -0.065
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.233e-002
Ca+2 7.916e-003 3.961e-003 -2.101 -2.402 -0.301
CaSO4 4.411e-003 4.444e-003 -2.355 -2.352 0.003
CaHSO4+ 1.785e-008 1.488e-008 -7.748 -7.827 -0.079
CaOH+ 2.959e-009 2.467e-009 -8.529 -8.608 -0.079
H(0) 9.311e-033
H2 4.656e-033 4.690e-033 -32.332 -32.329 0.003
O(0) 1.561e-015
O2 7.805e-016 7.863e-016 -15.108 -15.104 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -97.070 -97.153 -0.082
H2S 0.000e+000 0.000e+000 -97.157 -97.154 0.003
S-2 0.000e+000 0.000e+000 -102.027 -102.333 -0.306
S(6) 1.233e-002
SO4-2 7.916e-003 3.902e-003 -2.102 -2.409 -0.307
CaSO4 4.411e-003 4.444e-003 -2.355 -2.352 0.003
HSO4- 3.748e-007 3.125e-007 -6.426 -6.505 -0.079
CaHSO4+ 1.785e-008 1.488e-008 -7.748 -7.827 -0.079
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(343 K, 1 atm)
Anhydrite 0.00 -4.81 -4.81 CaSO4
Gypsum -0.12 -4.81 -4.69 CaSO4:2H2O
H2(g) -29.01 -32.33 -3.32 H2
H2O(g) -0.50 -0.00 0.50 H2O
H2S(g) -95.72 -97.15 -1.44 H2S
O2(g) -12.02 -15.10 -3.09 O2
Sulfur -72.11 -68.14 3.97 S
Reaction step 47.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.83 -4.83 1.000e+000 1.988e+000 9.875e-001
Gypsum -0.13 -4.83 -4.70 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.204e-002 1.248e-002
S 1.204e-002 1.248e-002
----------------------------Description of solution----------------------------
pH = 6.565 Charge balance
pe = 7.879 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 71 oC) = 3605
Density (g/cm3) = 0.97967
Activity of water = 1.000
Ionic strength = 3.100e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 71.00
Electrical balance (eq) = -1.058e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.755613e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.173e-007 5.944e-007 -6.144 -6.226 -0.082
H+ 3.154e-007 2.720e-007 -6.501 -6.565 -0.064
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.204e-002
Ca+2 7.750e-003 3.893e-003 -2.111 -2.410 -0.299
CaSO4 4.294e-003 4.325e-003 -2.367 -2.364 0.003
CaHSO4+ 1.809e-008 1.510e-008 -7.742 -7.821 -0.079
CaOH+ 2.846e-009 2.375e-009 -8.546 -8.624 -0.079
H(0) 1.223e-032
H2 6.114e-033 6.158e-033 -32.214 -32.211 0.003
O(0) 1.584e-015
O2 7.922e-016 7.979e-016 -15.101 -15.098 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -96.694 -96.776 -0.082
H2S 0.000e+000 0.000e+000 -96.775 -96.772 0.003
S-2 0.000e+000 0.000e+000 -101.639 -101.943 -0.304
S(6) 1.204e-002
SO4-2 7.750e-003 3.837e-003 -2.111 -2.416 -0.305
CaSO4 4.294e-003 4.325e-003 -2.367 -2.364 0.003
HSO4- 3.865e-007 3.225e-007 -6.413 -6.491 -0.079
CaHSO4+ 1.809e-008 1.510e-008 -7.742 -7.821 -0.079
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(344 K, 1 atm)
Anhydrite 0.00 -4.83 -4.83 CaSO4
Gypsum -0.13 -4.83 -4.70 CaSO4:2H2O
H2(g) -28.89 -32.21 -3.32 H2
H2O(g) -0.48 -0.00 0.48 H2O
H2S(g) -95.33 -96.77 -1.44 H2S
O2(g) -12.01 -15.10 -3.09 O2
Sulfur -71.84 -67.88 3.95 S
Reaction step 48.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.84 -4.84 1.000e+000 1.988e+000 9.878e-001
Gypsum -0.14 -4.84 -4.70 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.176e-002 1.219e-002
S 1.176e-002 1.219e-002
----------------------------Description of solution----------------------------
pH = 6.556 Charge balance
pe = 7.824 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 72 oC) = 3583
Density (g/cm3) = 0.97915
Activity of water = 1.000
Ionic strength = 3.034e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 72.00
Electrical balance (eq) = -1.056e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 14
Total H = 1.150124e+002
Total O = 5.755497e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.359e-007 6.106e-007 -6.133 -6.214 -0.081
H+ 3.218e-007 2.777e-007 -6.492 -6.556 -0.064
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.176e-002
Ca+2 7.586e-003 3.826e-003 -2.120 -2.417 -0.297
CaSO4 4.178e-003 4.207e-003 -2.379 -2.376 0.003
CaHSO4+ 1.833e-008 1.531e-008 -7.737 -7.815 -0.078
CaOH+ 2.736e-009 2.286e-009 -8.563 -8.641 -0.078
H(0) 1.628e-032
H2 8.139e-033 8.196e-033 -32.089 -32.086 0.003
O(0) 1.560e-015
O2 7.800e-016 7.854e-016 -15.108 -15.105 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -96.294 -96.375 -0.081
H2S 0.000e+000 0.000e+000 -96.369 -96.366 0.003
S-2 0.000e+000 0.000e+000 -101.227 -101.529 -0.302
S(6) 1.176e-002
SO4-2 7.585e-003 3.772e-003 -2.120 -2.423 -0.303
CaSO4 4.178e-003 4.207e-003 -2.379 -2.376 0.003
HSO4- 3.984e-007 3.328e-007 -6.400 -6.478 -0.078
CaHSO4+ 1.833e-008 1.531e-008 -7.737 -7.815 -0.078
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(345 K, 1 atm)
Anhydrite 0.00 -4.84 -4.84 CaSO4
Gypsum -0.14 -4.84 -4.70 CaSO4:2H2O
H2(g) -28.76 -32.09 -3.33 H2
H2O(g) -0.46 -0.00 0.46 H2O
H2S(g) -94.91 -96.37 -1.45 H2S
O2(g) -12.01 -15.10 -3.09 O2
Sulfur -71.54 -67.61 3.93 S
Reaction step 49.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.86 -4.86 1.000e+000 1.988e+000 9.881e-001
Gypsum -0.15 -4.86 -4.71 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.149e-002 1.190e-002
S 1.149e-002 1.190e-002
----------------------------Description of solution----------------------------
pH = 6.547 Charge balance
pe = 7.818 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 73 oC) = 3559
Density (g/cm3) = 0.97864
Activity of water = 1.000
Ionic strength = 2.969e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 73.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.755382e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.548e-007 6.271e-007 -6.122 -6.203 -0.081
H+ 3.282e-007 2.835e-007 -6.484 -6.547 -0.064
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.149e-002
Ca+2 7.423e-003 3.759e-003 -2.129 -2.425 -0.295
CaSO4 4.063e-003 4.091e-003 -2.391 -2.388 0.003
CaHSO4+ 1.856e-008 1.552e-008 -7.731 -7.809 -0.078
CaOH+ 2.631e-009 2.200e-009 -8.580 -8.658 -0.078
H(0) 1.734e-032
H2 8.668e-033 8.727e-033 -32.062 -32.059 0.003
O(0) 2.392e-015
O2 1.196e-015 1.204e-015 -14.922 -14.919 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -96.281 -96.362 -0.081
H2S 0.000e+000 0.000e+000 -96.351 -96.348 0.003
S-2 0.000e+000 0.000e+000 -101.202 -101.503 -0.300
S(6) 1.149e-002
SO4-2 7.423e-003 3.707e-003 -2.129 -2.431 -0.302
CaSO4 4.063e-003 4.091e-003 -2.391 -2.388 0.003
HSO4- 4.106e-007 3.434e-007 -6.387 -6.464 -0.078
CaHSO4+ 1.856e-008 1.552e-008 -7.731 -7.809 -0.078
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(346 K, 1 atm)
Anhydrite 0.00 -4.86 -4.86 CaSO4
Gypsum -0.15 -4.86 -4.71 CaSO4:2H2O
H2(g) -28.73 -32.06 -3.33 H2
H2O(g) -0.44 -0.00 0.44 H2O
H2S(g) -94.89 -96.35 -1.46 H2S
O2(g) -11.82 -14.92 -3.09 O2
Sulfur -71.53 -67.62 3.92 S
Reaction step 50.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.87 -4.87 1.000e+000 1.988e+000 9.884e-001
Gypsum -0.16 -4.87 -4.71 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.121e-002 1.162e-002
S 1.121e-002 1.162e-002
----------------------------Description of solution----------------------------
pH = 6.539 Charge balance
pe = 7.766 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 74 oC) = 3535
Density (g/cm3) = 0.97814
Activity of water = 1.000
Ionic strength = 2.905e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 74.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.755268e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.741e-007 6.439e-007 -6.111 -6.191 -0.080
H+ 3.347e-007 2.893e-007 -6.475 -6.539 -0.063
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.121e-002
Ca+2 7.263e-003 3.693e-003 -2.139 -2.433 -0.294
CaSO4 3.950e-003 3.976e-003 -2.403 -2.401 0.003
CaHSO4+ 1.878e-008 1.572e-008 -7.726 -7.803 -0.077
CaOH+ 2.530e-009 2.118e-009 -8.597 -8.674 -0.077
H(0) 2.277e-032
H2 1.139e-032 1.146e-032 -31.944 -31.941 0.003
O(0) 2.403e-015
O2 1.202e-015 1.210e-015 -14.920 -14.917 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -95.904 -95.984 -0.080
H2S 0.000e+000 0.000e+000 -95.967 -95.964 0.003
S-2 0.000e+000 0.000e+000 -100.813 -101.111 -0.299
S(6) 1.121e-002
SO4-2 7.262e-003 3.642e-003 -2.139 -2.439 -0.300
CaSO4 3.950e-003 3.976e-003 -2.403 -2.401 0.003
HSO4- 4.230e-007 3.541e-007 -6.374 -6.451 -0.077
CaHSO4+ 1.878e-008 1.572e-008 -7.726 -7.803 -0.077
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(347 K, 1 atm)
Anhydrite 0.00 -4.87 -4.87 CaSO4
Gypsum -0.16 -4.87 -4.71 CaSO4:2H2O
H2(g) -28.61 -31.94 -3.33 H2
H2O(g) -0.42 -0.00 0.42 H2O
H2S(g) -94.49 -95.96 -1.47 H2S
O2(g) -11.82 -14.92 -3.10 O2
Sulfur -71.25 -67.36 3.90 S
Reaction step 51.
Using solution 1. Pure water
Using pure phase assemblage 1.
Using temperature 1.
-------------------------------Phase assemblage--------------------------------
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite 0.00 -4.89 -4.89 1.000e+000 1.989e+000 9.887e-001
Gypsum -0.17 -4.89 -4.72 1.000e+000 0 -1.000e+000
-----------------------------Solution composition------------------------------
Elements Molality Moles
Ca 1.094e-002 1.134e-002
S 1.094e-002 1.134e-002
----------------------------Description of solution----------------------------
pH = 6.530 Charge balance
pe = 7.664 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 75 oC) = 3509
Density (g/cm3) = 0.97764
Activity of water = 1.000
Ionic strength = 2.841e-002
Mass of water (kg) = 1.036e+000
Total alkalinity (eq/kg) = 1.044e-010
Total carbon (mol/kg) = 0.000e+000
Total CO2 (mol/kg) = 0.000e+000
Temperature (deg C) = 75.00
Electrical balance (eq) = -1.082e-010
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.150124e+002
Total O = 5.755156e+001
----------------------------Distribution of species----------------------------
Log Log Log
Species Molality Activity Molality Activity Gamma
OH- 7.935e-007 6.609e-007 -6.100 -6.180 -0.079
H+ 3.412e-007 2.952e-007 -6.467 -6.530 -0.063
H2O 5.551e+001 9.997e-001 1.744 -0.000 0.000
Ca 1.094e-002
Ca+2 7.104e-003 3.627e-003 -2.149 -2.440 -0.292
CaSO4 3.838e-003 3.863e-003 -2.416 -2.413 0.003
CaHSO4+ 1.900e-008 1.592e-008 -7.721 -7.798 -0.077
CaOH+ 2.432e-009 2.039e-009 -8.614 -8.691 -0.077
H(0) 3.755e-032
H2 1.877e-032 1.890e-032 -31.726 -31.724 0.003
O(0) 1.527e-015
O2 7.637e-016 7.687e-016 -15.117 -15.114 0.003
S(-2) 0.000e+000
HS- 0.000e+000 0.000e+000 -95.131 -95.210 -0.079
H2S 0.000e+000 0.000e+000 -95.188 -95.185 0.003
S-2 0.000e+000 0.000e+000 -100.028 -100.325 -0.297
S(6) 1.094e-002
SO4-2 7.103e-003 3.579e-003 -2.149 -2.446 -0.298
CaSO4 3.838e-003 3.863e-003 -2.416 -2.413 0.003
HSO4- 4.356e-007 3.651e-007 -6.361 -6.438 -0.077
CaHSO4+ 1.900e-008 1.592e-008 -7.721 -7.798 -0.077
------------------------------Saturation indices-------------------------------
Phase SI log IAP log K(348 K, 1 atm)
Anhydrite 0.00 -4.89 -4.89 CaSO4
Gypsum -0.17 -4.89 -4.72 CaSO4:2H2O
H2(g) -28.39 -31.72 -3.34 H2
H2O(g) -0.40 -0.00 0.40 H2O
H2S(g) -93.71 -95.19 -1.48 H2S
O2(g) -12.02 -15.11 -3.10 O2
Sulfur -70.68 -66.80 3.88 S
------------------
End of simulation.
------------------
------------------------------------
Reading input data for simulation 2.
------------------------------------
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End of run.
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